11,13-dimethylpentadecan-2-one

C17H34O — CID 88850025

IUPAC11,13-dimethylpentadecan-2-one
SMILESCCC(C)CC(C)CCCCCCCCC(C)=O
InChIInChI=1S/C17H34O/c1-5-15(2)14-16(3)12-10-8-6-7-9-11-13-17(4)18/h15-16H,5-14H2,1-4H3
InChIKeyYCHBGMHHWSAXMA-UHFFFAOYSA-N
MW254.46 g/mol
LogP5.77
Rot. Bonds12

About 11,13-dimethylpentadecan-2-one

11,13-dimethylpentadecan-2-one (PubChem CID 88850025) has the molecular formula C17H34O and a molecular weight of 254.46 g/mol. Its IUPAC name is 11,13-dimethylpentadecan-2-one.

Molecular Properties

Compound Name11,13-dimethylpentadecan-2-one
PubChem CID88850025
Molecular FormulaC17H34O
Molecular Weight254.46 g/mol
Exact Mass254.26
IUPAC Name11,13-dimethylpentadecan-2-one
SMILESCCC(C)CC(C)CCCCCCCCC(C)=O
InChIInChI=1S/C17H34O/c1-5-15(2)14-16(3)12-10-8-6-7-9-11-13-17(4)18/h15-16H,5-14H2,1-4H3
InChIKeyYCHBGMHHWSAXMA-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

8,10-dimethylundecan-2-one
CID 90238828
8-methylundecan-2-one
CID 19847213
17-methylpentacosan-2-one
CID 57068605
6,10-dimethyldodecan-2-one
CID 14707953
7-methyldecan-2-one
CID 54155197
8-methylnonan-2-one
CID 528744
18-methylnonadecan-2-one
CID 90921447
3,5-dimethylpentacosane
CID 86177199
11-hydroxytridecan-2-one
CID 11687152
(18R)-18-methylicosanoic acid
CID 71587706
3,5-dimethyl-10-methylidenepentadecane
CID 123460821
pentadecane-2,14-dione
CID 10966641

Frequently Asked Questions

What is the IUPAC name of 11,13-dimethylpentadecan-2-one?
The IUPAC name of 11,13-dimethylpentadecan-2-one (CID 88850025) is 11,13-dimethylpentadecan-2-one.
What is the SMILES notation for 11,13-dimethylpentadecan-2-one?
The canonical SMILES for 11,13-dimethylpentadecan-2-one is CCC(C)CC(C)CCCCCCCCC(C)=O.
What is the InChIKey of 11,13-dimethylpentadecan-2-one?
The InChIKey is YCHBGMHHWSAXMA-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H34O/c1-5-15(2)14-16(3)12-10-8-6-7-9-11-13-17(4)18/h15-16H,5-14H2,1-4H3.
What are the key properties of 11,13-dimethylpentadecan-2-one?
11,13-dimethylpentadecan-2-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 11,13-dimethylpentadecan-2-one is sourced from PubChem (CID 88850025), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).