(Q67866106)

English

1-methyl-4-acetyl-1-cyclohexene

chemical compound

4-Acetyl-1-methyl-1-cyclohexene
4-Methyl-3-cyclohexen-1-yl methyl ketone

In more languages

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No label defined

No description defined

Statements

type of chemical entity

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chemical compound

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138.104465068 dalton

1 reference

based on heuristic

inferred from SMILES

chemical formula

C₉H₁₄O

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canonical SMILES

CC1=CCC(CC1)C(=O)C

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Akebia trifoliata

1 reference

Constituents of essential oil from the dried fruits and stems of Akebia quinata (THUNB.) DECNE.

Identifiers

InChI=1S/C9H14O/c1-7-3-5-9(6-4-7)8(2)10/h3,9H,4-6H2,1-2H3

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HOBBEYSRFFJETF-UHFFFAOYSA-N

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CAS Registry Number

1 reference

HOBBEYSRFFJETF-UHFFFAOYSA-N

CAS Common Chemistry

10 April 2021

https://commonchemistry.cas.org/detail?cas_rn=6090-09-1

1 reference

matched by identifier from

HOBBEYSRFFJETF-UHFFFAOYSA-N

mapping relation type

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ChEBI release 2022-06-13

matched by identifier from

International Chemical Identifier

InChI=1S/C9H14O/c1-7-3-5-9(6-4-7)8(2)10/h3,9H,4-6H2,1-2H3

2 references

based on heuristic

inferred from InChIKey

matched by identifier from

HOBBEYSRFFJETF-UHFFFAOYSA-N

UniChem compound ID

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MassBank accession ID

MSBNK-Fac_Eng_Univ_Tokyo-JP002308

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NMRShiftDB structure ID

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matched by identifier from

HOBBEYSRFFJETF-UHFFFAOYSA-N

DSSTox substance ID

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matched by identifier from

HOBBEYSRFFJETF-UHFFFAOYSA-N

DSSTOX compound identifier

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Human Metabolome Database ID

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based on heuristic

inferred from InChIKey

matched by identifier from

HOBBEYSRFFJETF-UHFFFAOYSA-N

2 references

based on heuristic

inferred from InChIKey

matched by identifier from

HOBBEYSRFFJETF-UHFFFAOYSA-N

1 reference

matched by identifier from

HOBBEYSRFFJETF-UHFFFAOYSA-N

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