6,10-dimethylpentadecan-8-one

C17H34O — CID 150688801

IUPAC6,10-dimethylpentadecan-8-one
SMILESCCCCCC(C)CC(=O)CC(C)CCCCC
InChIInChI=1S/C17H34O/c1-5-7-9-11-15(3)13-17(18)14-16(4)12-10-8-6-2/h15-16H,5-14H2,1-4H3
InChIKeyJJLANFAQHXYBDZ-UHFFFAOYSA-N
MW254.46 g/mol
LogP5.77
Rot. Bonds12

About 6,10-dimethylpentadecan-8-one

6,10-dimethylpentadecan-8-one (PubChem CID 150688801) has the molecular formula C17H34O and a molecular weight of 254.46 g/mol. Its IUPAC name is 6,10-dimethylpentadecan-8-one.

Molecular Properties

Compound Name6,10-dimethylpentadecan-8-one
PubChem CID150688801
Molecular FormulaC17H34O
Molecular Weight254.46 g/mol
Exact Mass254.26
IUPAC Name6,10-dimethylpentadecan-8-one
SMILESCCCCCC(C)CC(=O)CC(C)CCCCC
InChIInChI=1S/C17H34O/c1-5-7-9-11-15(3)13-17(18)14-16(4)12-10-8-6-2/h15-16H,5-14H2,1-4H3
InChIKeyJJLANFAQHXYBDZ-UHFFFAOYSA-N
XLogP5.77
TPSA17.07 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds12
Heavy Atoms18
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500254.46
LogP ≤ 55.77
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

12-methylhenicosan-10-one
CID 71761778
(2R,3R,7R)-2-hydroxy-3,7-dimethyltetradecan-5-one
CID 71445667
3-methyloctanoic acid
CID 5312327
5-methyltridecan-7-one
CID 71413449
(3S)-3-methylhexadecanoic acid
CID 54227409
3-methylnonadecanoic acid
CID 13392624
4-methyltetradecan-6-one
CID 12635285
2,2,5-trimethylundecan-3-one
CID 177435027
methyl 3-methylnonadecanoate
CID 71374081
4-methyl-2-methylideneheptadecanoic acid
CID 123985234
butyl 3-methyldodecanoate
CID 88963101
2,4-dimethylnon-1-ene
CID 55268908

Frequently Asked Questions

What is the IUPAC name of 6,10-dimethylpentadecan-8-one?
The IUPAC name of 6,10-dimethylpentadecan-8-one (CID 150688801) is 6,10-dimethylpentadecan-8-one.
What is the SMILES notation for 6,10-dimethylpentadecan-8-one?
The canonical SMILES for 6,10-dimethylpentadecan-8-one is CCCCCC(C)CC(=O)CC(C)CCCCC.
What is the InChIKey of 6,10-dimethylpentadecan-8-one?
The InChIKey is JJLANFAQHXYBDZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H34O/c1-5-7-9-11-15(3)13-17(18)14-16(4)12-10-8-6-2/h15-16H,5-14H2,1-4H3.
What are the key properties of 6,10-dimethylpentadecan-8-one?
6,10-dimethylpentadecan-8-one has a molecular weight of 254.46 g/mol, XLogP of 5.77, 12 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 6,10-dimethylpentadecan-8-one is sourced from PubChem (CID 150688801), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).