(6S)-6,10-dimethyltridecan-2-one

C15H30O — CID 87377837

IUPAC(6S)-6,10-dimethyltridecan-2-one
SMILESCCCC(C)CCC[C@H](C)CCCC(C)=O
InChIInChI=1S/C15H30O/c1-5-8-13(2)9-6-10-14(3)11-7-12-15(4)16/h13-14H,5-12H2,1-4H3/t13?,14-/m0/s1
InChIKeyJGXKQQXSKKTIOM-KZUDCZAMSA-N
MW226.40 g/mol
LogP4.99
Rot. Bonds10

About (6S)-6,10-dimethyltridecan-2-one

(6S)-6,10-dimethyltridecan-2-one (PubChem CID 87377837) has the molecular formula C15H30O and a molecular weight of 226.40 g/mol. Its IUPAC name is (6S)-6,10-dimethyltridecan-2-one.

Molecular Properties

Compound Name(6S)-6,10-dimethyltridecan-2-one
PubChem CID87377837
Molecular FormulaC15H30O
Molecular Weight226.40 g/mol
Exact Mass226.23
IUPAC Name(6S)-6,10-dimethyltridecan-2-one
SMILESCCCC(C)CCC[C@H](C)CCCC(C)=O
InChIInChI=1S/C15H30O/c1-5-8-13(2)9-6-10-14(3)11-7-12-15(4)16/h13-14H,5-12H2,1-4H3/t13?,14-/m0/s1
InChIKeyJGXKQQXSKKTIOM-KZUDCZAMSA-N
XLogP4.99
TPSA17.07 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds10
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500226.40
LogP ≤ 54.99
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 101

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Related Compounds

7-methyldecan-2-one
CID 54155197
8-methylundecan-2-one
CID 19847213
6,10-dimethyldodecan-2-one
CID 14707953
17-methylpentacosan-2-one
CID 57068605
4,8-dimethylundecanoic acid
CID 25230729
2-hydroxy-7-methyldecan-3-one
CID 91404937
9,9-dimethoxy-6-methylnonan-2-one
CID 14103320
6-methyl-2-methylidenenonanoic acid
CID 54193613
5-methyl-1-pyrrolidin-1-yloctan-1-one
CID 168981968
5,9-dimethyl-11-sulfanylundecan-2-one
CID 121451514
7-methyldecane-2,6-dione
CID 14545114
6-methylnonan-2-ol
CID 19931334

Frequently Asked Questions

What is the IUPAC name of (6S)-6,10-dimethyltridecan-2-one?
The IUPAC name of (6S)-6,10-dimethyltridecan-2-one (CID 87377837) is (6S)-6,10-dimethyltridecan-2-one.
What is the SMILES notation for (6S)-6,10-dimethyltridecan-2-one?
The canonical SMILES for (6S)-6,10-dimethyltridecan-2-one is CCCC(C)CCC[C@H](C)CCCC(C)=O.
What is the InChIKey of (6S)-6,10-dimethyltridecan-2-one?
The InChIKey is JGXKQQXSKKTIOM-KZUDCZAMSA-N. The full InChI is InChI=1S/C15H30O/c1-5-8-13(2)9-6-10-14(3)11-7-12-15(4)16/h13-14H,5-12H2,1-4H3/t13?,14-/m0/s1.
What are the key properties of (6S)-6,10-dimethyltridecan-2-one?
(6S)-6,10-dimethyltridecan-2-one has a molecular weight of 226.40 g/mol, XLogP of 4.99, 10 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for (6S)-6,10-dimethyltridecan-2-one is sourced from PubChem (CID 87377837), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).