(6S)-4,6-dimethylnonan-5-one

C11H22O — CID 177467625

IUPAC(6S)-4,6-dimethylnonan-5-one
SMILESCCCC(C)C(=O)[C@@H](C)CCC
InChIInChI=1S/C11H22O/c1-5-7-9(3)11(12)10(4)8-6-2/h9-10H,5-8H2,1-4H3/t9-,10?/m0/s1
InChIKeyYGDJOFDNZUXEMG-RGURZIINSA-N
MW170.30 g/mol
LogP3.43
Rot. Bonds6

About (6S)-4,6-dimethylnonan-5-one

(6S)-4,6-dimethylnonan-5-one (PubChem CID 177467625) has the molecular formula C11H22O and a molecular weight of 170.30 g/mol. Its IUPAC name is (6S)-4,6-dimethylnonan-5-one.

Molecular Properties

Compound Name(6S)-4,6-dimethylnonan-5-one
PubChem CID177467625
Molecular FormulaC11H22O
Molecular Weight170.30 g/mol
Exact Mass170.17
IUPAC Name(6S)-4,6-dimethylnonan-5-one
SMILESCCCC(C)C(=O)[C@@H](C)CCC
InChIInChI=1S/C11H22O/c1-5-7-9(3)11(12)10(4)8-6-2/h9-10H,5-8H2,1-4H3/t9-,10?/m0/s1
InChIKeyYGDJOFDNZUXEMG-RGURZIINSA-N
XLogP3.43
TPSA17.07 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds6
Heavy Atoms12
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500170.30
LogP ≤ 53.43
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 101

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Related Compounds

(4R)-2,4-dimethylheptan-3-one
CID 6999069
2,4-dimethyl-1-(methylamino)heptan-3-one
CID 107890170
lithium 2-methylpentanoate
CID 122554466
magnesium bis(2-methylpentanoate)
CID 140813982
4,6,8,10-tetramethyltridecan-7-one
CID 150096425
1,1,1-trifluoro-4-methyl-2-(trifluoromethyl)heptan-3-one
CID 107891338
CID 159174397
CID 159174397
(4R)-4-methylheptan-3-one
CID 12696684
(2R)-2-methylpentanoyl chloride
CID 7160703
(3S)-3-methyl-2-oxohexanamide
CID 145466724
2,5-dimethyloctan-4-one
CID 88817499
(4S)-4-methylnonan-5-one;(4R)-4-methylnonan-5-one
CID 162100012

Frequently Asked Questions

What is the IUPAC name of (6S)-4,6-dimethylnonan-5-one?
The IUPAC name of (6S)-4,6-dimethylnonan-5-one (CID 177467625) is (6S)-4,6-dimethylnonan-5-one.
What is the SMILES notation for (6S)-4,6-dimethylnonan-5-one?
The canonical SMILES for (6S)-4,6-dimethylnonan-5-one is CCCC(C)C(=O)[C@@H](C)CCC.
What is the InChIKey of (6S)-4,6-dimethylnonan-5-one?
The InChIKey is YGDJOFDNZUXEMG-RGURZIINSA-N. The full InChI is InChI=1S/C11H22O/c1-5-7-9(3)11(12)10(4)8-6-2/h9-10H,5-8H2,1-4H3/t9-,10?/m0/s1.
What are the key properties of (6S)-4,6-dimethylnonan-5-one?
(6S)-4,6-dimethylnonan-5-one has a molecular weight of 170.30 g/mol, XLogP of 3.43, 6 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for (6S)-4,6-dimethylnonan-5-one is sourced from PubChem (CID 177467625), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).