6,10,14-trimethylpentadecan-2-one

C18H36O — CID 10408

IUPAC6,10,14-trimethylpentadecan-2-one
SMILESCC(=O)CCCC(C)CCCC(C)CCCC(C)C
InChIInChI=1S/C18H36O/c1-15(2)9-6-10-16(3)11-7-12-17(4)13-8-14-18(5)19/h15-17H,6-14H2,1-5H3
InChIKeyWHWDWIHXSPCOKZ-UHFFFAOYSA-N
MW268.48 g/mol
LogP6.01
Rot. Bonds12

About 6,10,14-trimethylpentadecan-2-one

6,10,14-trimethylpentadecan-2-one (PubChem CID 10408) has the molecular formula C18H36O and a molecular weight of 268.48 g/mol. Its IUPAC name is 6,10,14-trimethylpentadecan-2-one.

Molecular Properties

Compound Name6,10,14-trimethylpentadecan-2-one
PubChem CID10408
Molecular FormulaC18H36O
Molecular Weight268.48 g/mol
Exact Mass268.28
IUPAC Name6,10,14-trimethylpentadecan-2-one
SMILESCC(=O)CCCC(C)CCCC(C)CCCC(C)C
InChIInChI=1S/C18H36O/c1-15(2)9-6-10-16(3)11-7-12-17(4)13-8-14-18(5)19/h15-17H,6-14H2,1-5H3
InChIKeyWHWDWIHXSPCOKZ-UHFFFAOYSA-N
XLogP6.01
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 ≤ 56.01
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 101

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Related Compounds

Muskone
CID 10947
6-Methyl-2-heptanone
CID 13572
2-sec-Butyl cyclohexanone
CID 61771
2,6,8-Trimethyl-4-nonanone
CID 61057
2-Heptylcyclopentanone
CID 8710
4-Propylcyclohexanone
CID 142482
2-Heptanone, 4,6-dimethyl-
CID 89180
3-Methyl-2,4-nonanedione
CID 529481
6,10-Dimethylundecan-2-one
CID 95495
4-Methyl-2-heptanone
CID 94317
3-Methyl-4-octanone
CID 4075149
2-Dodecylcyclobutanone
CID 161875

Frequently Asked Questions

What is the IUPAC name of 6,10,14-trimethylpentadecan-2-one?
The IUPAC name of 6,10,14-trimethylpentadecan-2-one (CID 10408) is 6,10,14-trimethylpentadecan-2-one.
What is the SMILES notation for 6,10,14-trimethylpentadecan-2-one?
The canonical SMILES for 6,10,14-trimethylpentadecan-2-one is CC(=O)CCCC(C)CCCC(C)CCCC(C)C.
What is the InChIKey of 6,10,14-trimethylpentadecan-2-one?
The InChIKey is WHWDWIHXSPCOKZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H36O/c1-15(2)9-6-10-16(3)11-7-12-17(4)13-8-14-18(5)19/h15-17H,6-14H2,1-5H3.
What are the key properties of 6,10,14-trimethylpentadecan-2-one?
6,10,14-trimethylpentadecan-2-one has a molecular weight of 268.48 g/mol, XLogP of 6.01, 12 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 6,10,14-trimethylpentadecan-2-one is sourced from PubChem (CID 10408), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).