(4R,6R)-4,6-dimethyloctan-2-one

C10H20O — CID 15199451

IUPAC(4R,6R)-4,6-dimethyloctan-2-one
SMILESCC[C@@H](C)C[C@@H](C)CC(C)=O
InChIInChI=1S/C10H20O/c1-5-8(2)6-9(3)7-10(4)11/h8-9H,5-7H2,1-4H3/t8-,9-/m1/s1
InChIKeyNMSDKCQPRHCSMG-RKDXNWHRSA-N
MW156.27 g/mol
LogP3.04
Rot. Bonds5

About (4R,6R)-4,6-dimethyloctan-2-one

(4R,6R)-4,6-dimethyloctan-2-one (PubChem CID 15199451) has the molecular formula C10H20O and a molecular weight of 156.27 g/mol. Its IUPAC name is (4R,6R)-4,6-dimethyloctan-2-one.

Molecular Properties

Compound Name(4R,6R)-4,6-dimethyloctan-2-one
PubChem CID15199451
Molecular FormulaC10H20O
Molecular Weight156.27 g/mol
Exact Mass156.15
IUPAC Name(4R,6R)-4,6-dimethyloctan-2-one
SMILESCC[C@@H](C)C[C@@H](C)CC(C)=O
InChIInChI=1S/C10H20O/c1-5-8(2)6-9(3)7-10(4)11/h8-9H,5-7H2,1-4H3/t8-,9-/m1/s1
InChIKeyNMSDKCQPRHCSMG-RKDXNWHRSA-N
XLogP3.04
TPSA17.07 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds5
Heavy Atoms11
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500156.27
LogP ≤ 53.04
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 101

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Related Compounds

4,7-dimethylnonan-2-one
CID 87291820
(4R,6S)-4,6-dimethyloct-7-en-2-one
CID 59788969
3,5-dimethylheptane;ethane
CID 172617343
11,13-dimethylpentadecan-2-one
CID 88850025
ethane;4-methylheptan-2-one
CID 142986053
3,5-dimethylheptane;ethane;methanol;propane
CID 176685880
ethane;methane;4-methylheptane-2,6-dione;5-methylnonane-2,8-dione;3-methylpentane;propane
CID 157220169
5-chloro-4-methylpentan-2-one
CID 55303169
4-(2-methylbutylsulfanyl)pentan-2-one
CID 107752689
(2R,4S,6S,8S)-2,4,6,8-tetramethyldecanoic acid
CID 163059027
2,4,6,8-tetramethyldecanoic acid
CID 5312348
(4S)-4-methylhexan-2-one;pyrrolidin-2-one
CID 142272502

Frequently Asked Questions

What is the IUPAC name of (4R,6R)-4,6-dimethyloctan-2-one?
The IUPAC name of (4R,6R)-4,6-dimethyloctan-2-one (CID 15199451) is (4R,6R)-4,6-dimethyloctan-2-one.
What is the SMILES notation for (4R,6R)-4,6-dimethyloctan-2-one?
The canonical SMILES for (4R,6R)-4,6-dimethyloctan-2-one is CC[C@@H](C)C[C@@H](C)CC(C)=O.
What is the InChIKey of (4R,6R)-4,6-dimethyloctan-2-one?
The InChIKey is NMSDKCQPRHCSMG-RKDXNWHRSA-N. The full InChI is InChI=1S/C10H20O/c1-5-8(2)6-9(3)7-10(4)11/h8-9H,5-7H2,1-4H3/t8-,9-/m1/s1.
What are the key properties of (4R,6R)-4,6-dimethyloctan-2-one?
(4R,6R)-4,6-dimethyloctan-2-one has a molecular weight of 156.27 g/mol, XLogP of 3.04, 5 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for (4R,6R)-4,6-dimethyloctan-2-one is sourced from PubChem (CID 15199451), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).