8-methylundecan-2-one

C12H24O — CID 19847213

IUPAC8-methylundecan-2-one
SMILESCCCC(C)CCCCCC(C)=O
InChIInChI=1S/C12H24O/c1-4-8-11(2)9-6-5-7-10-12(3)13/h11H,4-10H2,1-3H3
InChIKeyQULDHZNAWPMGCC-UHFFFAOYSA-N
MW184.32 g/mol
LogP3.96
Rot. Bonds8

About 8-methylundecan-2-one

8-methylundecan-2-one (PubChem CID 19847213) has the molecular formula C12H24O and a molecular weight of 184.32 g/mol. Its IUPAC name is 8-methylundecan-2-one.

Molecular Properties

Compound Name8-methylundecan-2-one
PubChem CID19847213
Molecular FormulaC12H24O
Molecular Weight184.32 g/mol
Exact Mass184.18
IUPAC Name8-methylundecan-2-one
SMILESCCCC(C)CCCCCC(C)=O
InChIInChI=1S/C12H24O/c1-4-8-11(2)9-6-5-7-10-12(3)13/h11H,4-10H2,1-3H3
InChIKeyQULDHZNAWPMGCC-UHFFFAOYSA-N
XLogP3.96
TPSA17.07 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds8
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500184.32
LogP ≤ 53.96
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

7-methyldecan-2-one
CID 54155197
17-methylpentacosan-2-one
CID 57068605
(6S)-6,10-dimethyltridecan-2-one
CID 87377837
(E)-6,12-dimethylpentadec-5-en-2-one;ethene
CID 19847210
11,13-dimethylpentadecan-2-one
CID 88850025
8,10-dimethylundecan-2-one
CID 90238828
8-methylnonan-2-one
CID 528744
18-methylnonadecan-2-one
CID 90921447
acetic acid;9-methyldodecan-1-ol
CID 71407240
6,10-dimethyldodecan-2-one
CID 14707953
9-methylhexadecanoic acid
CID 5312299
(7S)-7-hydroxydotriacontan-2-one
CID 162871149

Frequently Asked Questions

What is the IUPAC name of 8-methylundecan-2-one?
The IUPAC name of 8-methylundecan-2-one (CID 19847213) is 8-methylundecan-2-one.
What is the SMILES notation for 8-methylundecan-2-one?
The canonical SMILES for 8-methylundecan-2-one is CCCC(C)CCCCCC(C)=O.
What is the InChIKey of 8-methylundecan-2-one?
The InChIKey is QULDHZNAWPMGCC-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H24O/c1-4-8-11(2)9-6-5-7-10-12(3)13/h11H,4-10H2,1-3H3.
What are the key properties of 8-methylundecan-2-one?
8-methylundecan-2-one has a molecular weight of 184.32 g/mol, XLogP of 3.96, 8 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 8-methylundecan-2-one is sourced from PubChem (CID 19847213), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).