(6S)-2,6-dimethyldecan-3-one

C12H24O — CID 71584493

IUPAC(6S)-2,6-dimethyldecan-3-one
SMILESCCCC[C@H](C)CCC(=O)C(C)C
InChIInChI=1S/C12H24O/c1-5-6-7-11(4)8-9-12(13)10(2)3/h10-11H,5-9H2,1-4H3/t11-/m0/s1
InChIKeyIRLKDGUIOLWNCX-NSHDSACASA-N
MW184.32 g/mol
LogP3.82
Rot. Bonds7

About (6S)-2,6-dimethyldecan-3-one

(6S)-2,6-dimethyldecan-3-one (PubChem CID 71584493) has the molecular formula C12H24O and a molecular weight of 184.32 g/mol. Its IUPAC name is (6S)-2,6-dimethyldecan-3-one.

Molecular Properties

Compound Name(6S)-2,6-dimethyldecan-3-one
PubChem CID71584493
Molecular FormulaC12H24O
Molecular Weight184.32 g/mol
Exact Mass184.18
IUPAC Name(6S)-2,6-dimethyldecan-3-one
SMILESCCCC[C@H](C)CCC(=O)C(C)C
InChIInChI=1S/C12H24O/c1-5-6-7-11(4)8-9-12(13)10(2)3/h10-11H,5-9H2,1-4H3/t11-/m0/s1
InChIKeyIRLKDGUIOLWNCX-NSHDSACASA-N
XLogP3.82
TPSA17.07 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds7
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500184.32
LogP ≤ 53.82
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 101

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Related Compounds

2-hydroxy-6-methyldecan-3-one
CID 91029321
ethane;4-methyloctanoic acid
CID 171811977
4,8-dimethyldodecanoic acid
CID 5282617
2-methylheptan-3-one;hydrate
CID 176897102
deuterio 4-methyloctanoate
CID 175688487
2-methylhexadecan-3-one
CID 58030381
4-methyloctanoic acid;nonanoic acid
CID 161166549
4-methyltetradecanoic acid
CID 23454322
2-hydroxy-6-methylnonan-3-one
CID 123192108
4-methyloctanoyl nonanoate
CID 56983372
4,8,12-trimethylnonadecanoic acid
CID 141295751
3-methylheptan-1-amine;propan-2-one
CID 145353822

Frequently Asked Questions

What is the IUPAC name of (6S)-2,6-dimethyldecan-3-one?
The IUPAC name of (6S)-2,6-dimethyldecan-3-one (CID 71584493) is (6S)-2,6-dimethyldecan-3-one.
What is the SMILES notation for (6S)-2,6-dimethyldecan-3-one?
The canonical SMILES for (6S)-2,6-dimethyldecan-3-one is CCCC[C@H](C)CCC(=O)C(C)C.
What is the InChIKey of (6S)-2,6-dimethyldecan-3-one?
The InChIKey is IRLKDGUIOLWNCX-NSHDSACASA-N. The full InChI is InChI=1S/C12H24O/c1-5-6-7-11(4)8-9-12(13)10(2)3/h10-11H,5-9H2,1-4H3/t11-/m0/s1.
What are the key properties of (6S)-2,6-dimethyldecan-3-one?
(6S)-2,6-dimethyldecan-3-one has a molecular weight of 184.32 g/mol, XLogP of 3.82, 7 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for (6S)-2,6-dimethyldecan-3-one is sourced from PubChem (CID 71584493), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).