15,15-dimethylhexadecan-2-one

C18H36O — CID 19021221

IUPAC15,15-dimethylhexadecan-2-one
SMILESCC(=O)CCCCCCCCCCCCC(C)(C)C
InChIInChI=1S/C18H36O/c1-17(19)15-13-11-9-7-5-6-8-10-12-14-16-18(2,3)4/h5-16H2,1-4H3
InChIKeyDPOWWLCJHQXQCR-UHFFFAOYSA-N
MW268.48 g/mol
LogP6.30
Rot. Bonds12

About 15,15-dimethylhexadecan-2-one

15,15-dimethylhexadecan-2-one (PubChem CID 19021221) has the molecular formula C18H36O and a molecular weight of 268.48 g/mol. Its IUPAC name is 15,15-dimethylhexadecan-2-one.

Molecular Properties

Compound Name15,15-dimethylhexadecan-2-one
PubChem CID19021221
Molecular FormulaC18H36O
Molecular Weight268.48 g/mol
Exact Mass268.28
IUPAC Name15,15-dimethylhexadecan-2-one
SMILESCC(=O)CCCCCCCCCCCCC(C)(C)C
InChIInChI=1S/C18H36O/c1-17(19)15-13-11-9-7-5-6-8-10-12-14-16-18(2,3)4/h5-16H2,1-4H3
InChIKeyDPOWWLCJHQXQCR-UHFFFAOYSA-N
XLogP6.30
TPSA17.07 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds12
Heavy Atoms19
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500268.48
LogP ≤ 56.30
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

docosane-2,21-dione
CID 537416
pentadecane-2,14-dione
CID 10966641
alumane;7,7-dimethyloctanoic acid
CID 174339298
calcium;6,6-dimethylheptanoate;8,8-dimethylnonanoate
CID 56844065
6,6-dimethylheptanoic acid;8,8-dimethylnonanoic acid;zinc
CID 56844104
7,7-dimethyloctanoic acid;hafnium
CID 174685338
7,7-dimethyloctanoic acid;mercury
CID 159526990
6,6-dimethylheptanoic acid;7,7-dimethyloctanoic acid;iron
CID 56841408
7,7-dimethyloctanoate
CID 21225528
8,8-dimethylnonanoyl chloride
CID 154269642
cerium;6,6-dimethylheptanoic acid;bis(8,8-dimethylnonanoic acid)
CID 56844010
7,7-dimethyloctanoic acid;platinum
CID 174840120

Frequently Asked Questions

What is the IUPAC name of 15,15-dimethylhexadecan-2-one?
The IUPAC name of 15,15-dimethylhexadecan-2-one (CID 19021221) is 15,15-dimethylhexadecan-2-one.
What is the SMILES notation for 15,15-dimethylhexadecan-2-one?
The canonical SMILES for 15,15-dimethylhexadecan-2-one is CC(=O)CCCCCCCCCCCCC(C)(C)C.
What is the InChIKey of 15,15-dimethylhexadecan-2-one?
The InChIKey is DPOWWLCJHQXQCR-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H36O/c1-17(19)15-13-11-9-7-5-6-8-10-12-14-16-18(2,3)4/h5-16H2,1-4H3.
What are the key properties of 15,15-dimethylhexadecan-2-one?
15,15-dimethylhexadecan-2-one has a molecular weight of 268.48 g/mol, XLogP of 6.30, 12 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 15,15-dimethylhexadecan-2-one is sourced from PubChem (CID 19021221), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).