(Q27122001)

(4R,7R)-4-methyl-7-(1-methylethyl)oxepan-2-one (English)

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

6 October 2016

stereoisomer of

2 references

based on heuristic

inferred from InChIKey

based on heuristic

inferred from InChI

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

1 reference

based on heuristic

inferred from InChI

chemical formula

C₁₀H₁₈O₂

1 reference

(4R,7R)-4-methyl-7-(1-methylethyl)oxepan-2-one (English)

6 October 2016

canonical SMILES

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

1 reference

(4R,7R)-4-methyl-7-(1-methylethyl)oxepan-2-one (English)

6 October 2016

isomeric SMILES

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

1 reference

(4R,7R)-4-methyl-7-(1-methylethyl)oxepan-2-one (English)

InChI=1S/C10H18O2/c1-7(2)9-5-4-8(3)6-10(11)12-9/h7-9H,4-6H2,1-3H3/t8-,9-/m1/s1

6 October 2016

Identifiers

InChI

1 reference

(4R,7R)-4-methyl-7-(1-methylethyl)oxepan-2-one (English)

GGAXPLCKKANQED-RKDXNWHRSA-N

6 October 2016

InChIKey

2 references

(4R,7R)-4-methyl-7-(1-methylethyl)oxepan-2-one (English)

6 October 2016

stated in

ChEBI release 2020-09-01

1 reference

(4R,7R)-7-Isopropyl-4-methyl-2-oxepanone (English)

6 October 2016

2 references

(4R,7R)-4-methyl-7-(1-methylethyl)oxepan-2-one (English)

matched by identifier from

6 October 2016

InChIKey

GGAXPLCKKANQED-RKDXNWHRSA-N

Reaxys registry number

5477031

1 reference

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

6 October 2016

ChEBI ID

50251

mapping relation type

2 references

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

matched by identifier from

6 October 2016

International Chemical Identifier

InChI

InChI=1S/C10H18O2/c1-7(2)9-5-4-8(3)6-10(11)12-9/h7-9H,4-6H2,1-3H3/t8-,9-/m1/s1

1 reference

1 reference

http://www.lipidmaps.org/rest/compound/lm_id/LM/all/download