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10-Methyloxecan-2-one

HCID 566646
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Basic informationOverviewNames & identifiersPropertiesRelated reactionsCompound notes
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Basic information

CAS
65371-24-6
Standard SMILES
CC1CCCCCCCC(=O)O1
InChIKey
SAMJSVOFANTIOD-UHFFFAOYSA-N
Molecular formula
C10H18O2
Average molar mass
170.25 g/mol
Monoisotopic mass
170.13067981

Overview

10-Methyloxecan-2-one is a lactone.

Names & identifiers

Preferred name
10-Methyloxecan-2-one
IUPAC
10-methyloxecan-2-one

Names & synonyms

10-methyloxecan-2-one9-Decanolide10-Methyl-2-oxecanone65371-24-6Phoracantholide I10-methyl-oxecan-2-one(.+/-.)-Phoracantholide I(.+/-.)-Decan-9-olideSCHEMBL12950185DTXSID30340704CHEBI:180243SAMJSVOFANTIOD-UHFFFAOYSA-N
Show more names
LMFA070400262-Oxecanone, 10-methyl-, (.+/-.)-

Database identifiers

CAS
65371-24-6
PubChem CID
566646
DTXSID
DTXSID30340704
ChEBI
CHEBI:180243
Nikkaji
J247.983D

Properties

Computed structural properties

XLogP
3
Topological polar surface area
26.3 Ų
Hydrogen bond donors
0
Hydrogen bond acceptors
2
Rotatable bonds
0
Heavy atoms
12
Formal charge
0
Complexity
143

Experimental & physicochemical properties

LipidsFatty Acyls [FA] -> Fatty esters [FA07] -> Lactones [FA0704]

Related reactions

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Compound notes

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On this pageBasic informationOverviewNames & identifiersPropertiesRelated reactionsCompound notes