7-methyldecan-2-one

C11H22O — CID 54155197

IUPAC7-methyldecan-2-one
SMILESCCCC(C)CCCCC(C)=O
InChIInChI=1S/C11H22O/c1-4-7-10(2)8-5-6-9-11(3)12/h10H,4-9H2,1-3H3
InChIKeyOKOFEKKRFFARNV-UHFFFAOYSA-N
MW170.30 g/mol
LogP3.57
Rot. Bonds7

About 7-methyldecan-2-one

7-methyldecan-2-one (PubChem CID 54155197) has the molecular formula C11H22O and a molecular weight of 170.30 g/mol. Its IUPAC name is 7-methyldecan-2-one.

Molecular Properties

Compound Name7-methyldecan-2-one
PubChem CID54155197
Molecular FormulaC11H22O
Molecular Weight170.30 g/mol
Exact Mass170.17
IUPAC Name7-methyldecan-2-one
SMILESCCCC(C)CCCCC(C)=O
InChIInChI=1S/C11H22O/c1-4-7-10(2)8-5-6-9-11(3)12/h10H,4-9H2,1-3H3
InChIKeyOKOFEKKRFFARNV-UHFFFAOYSA-N
XLogP3.57
TPSA17.07 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds7
Heavy Atoms12
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500170.30
LogP ≤ 53.57
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 101

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}

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Related Compounds

8-methylundecan-2-one
CID 19847213
(6S)-6,10-dimethyltridecan-2-one
CID 87377837
17-methylpentacosan-2-one
CID 57068605
(E)-6,12-dimethylpentadec-5-en-2-one;ethene
CID 19847210
6,10-dimethyldodecan-2-one
CID 14707953
11,13-dimethylpentadecan-2-one
CID 88850025
8,10-dimethylundecan-2-one
CID 90238828
acetic acid;9-methyldodecan-1-ol
CID 71407240
18-methylnonadecan-2-one
CID 90921447
8-methylnonan-2-one
CID 528744
4,8-dimethylundecanoic acid
CID 25230729
[(2S)-2,3-dihydroxypropyl] (6S)-6-methylnonanoate
CID 88848768

Frequently Asked Questions

What is the IUPAC name of 7-methyldecan-2-one?
The IUPAC name of 7-methyldecan-2-one (CID 54155197) is 7-methyldecan-2-one.
What is the SMILES notation for 7-methyldecan-2-one?
The canonical SMILES for 7-methyldecan-2-one is CCCC(C)CCCCC(C)=O.
What is the InChIKey of 7-methyldecan-2-one?
The InChIKey is OKOFEKKRFFARNV-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H22O/c1-4-7-10(2)8-5-6-9-11(3)12/h10H,4-9H2,1-3H3.
What are the key properties of 7-methyldecan-2-one?
7-methyldecan-2-one has a molecular weight of 170.30 g/mol, XLogP of 3.57, 7 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 7-methyldecan-2-one is sourced from PubChem (CID 54155197), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).