(Q74417128)

English

(4S,7R)-7-isopropyl-4-methyloxepan-2-one

chemical compound

In more languages

Statements

type of chemical entity

0 references

6-hydroxy-3,7-dimethyloctanoic acid lactone

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170.130679816 dalton

1 reference

based on heuristic

inferred from isomeric SMILES

stereoisomer of

(4R,7R)-7-isopropyl-4-methyloxepan-2-one

2 references

based on heuristic

inferred from InChIKey

based on heuristic

inferred from InChI

(4R,7S)-7-isopropyl-4-methyloxepan-2-one

1 reference

based on heuristic

inferred from InChI

chemical formula

C₁₀H₁₈O₂

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canonical SMILES

CC1CCC(C(C)C)OC(=O)C1

1 reference

based on heuristic

inferred from isomeric SMILES

isomeric SMILES

C[C@H]1CC[C@@H](OC(=O)C1)C(C)C

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Identifiers

InChI=1S/C10H18O2/c1-7(2)9-5-4-8(3)6-10(11)12-9/h7-9H,4-6H2,1-3H3/t8-,9+/m0/s1

0 references

GGAXPLCKKANQED-DTWKUNHWSA-N

2 references

ChEBI release 2019-11-01

ChEBI release 2020-09-01

1 reference

matched by identifier from

GGAXPLCKKANQED-DTWKUNHWSA-N

Reaxys registry number

5329546

1 reference

ChEBI release 2019-11-01

mapping relation type

1 reference

matched by identifier from

International Chemical Identifier

InChI=1S/C10H18O2/c1-7(2)9-5-4-8(3)6-10(11)12-9/h7-9H,4-6H2,1-3H3/t8-,9+/m0/s1

UniChem compound ID

1 reference

1 reference

matched by identifier from

GGAXPLCKKANQED-DTWKUNHWSA-N

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