trans-(2S,3R)-3-butyl-2-methylcyclopentan-1-one

C10H18O — CID 124509063

IUPACtrans-(2S,3R)-3-butyl-2-methylcyclopentan-1-one
SMILESCCCC[C@@H]1CCC(=O)[C@H]1C
InChIInChI=1S/C10H18O/c1-3-4-5-9-6-7-10(11)8(9)2/h8-9H,3-7H2,1-2H3/t8-,9+/m0/s1
InChIKeyCLIGNJSBPOXUGL-DTWKUNHWSA-N
MW154.25 g/mol
LogP2.79
Rot. Bonds3

About trans-(2S,3R)-3-butyl-2-methylcyclopentan-1-one

trans-(2S,3R)-3-butyl-2-methylcyclopentan-1-one (PubChem CID 124509063) has the molecular formula C10H18O and a molecular weight of 154.25 g/mol. Its IUPAC name is trans-(2S,3R)-3-butyl-2-methylcyclopentan-1-one.

Molecular Properties

Compound Nametrans-(2S,3R)-3-butyl-2-methylcyclopentan-1-one
PubChem CID124509063
Molecular FormulaC10H18O
Molecular Weight154.25 g/mol
Exact Mass154.14
IUPAC Nametrans-(2S,3R)-3-butyl-2-methylcyclopentan-1-one
SMILESCCCC[C@@H]1CCC(=O)[C@H]1C
InChIInChI=1S/C10H18O/c1-3-4-5-9-6-7-10(11)8(9)2/h8-9H,3-7H2,1-2H3/t8-,9+/m0/s1
InChIKeyCLIGNJSBPOXUGL-DTWKUNHWSA-N
XLogP2.79
TPSA17.07 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds3
Heavy Atoms11
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500154.25
LogP ≤ 52.79
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 101

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Related Compounds

(3R)-3-(4,4-difluoro-3-oxooctyl)-2-methylcyclopentan-1-one
CID 129227984
3-(2-ethylhexyl)-2-methylcyclopentan-1-one
CID 64908527
methyl 2-butyl-5-oxocyclopentane-1-carboxylate
CID 71412365
4-[(1R,2R)-2-methyl-3-oxocyclohexyl]butanal
CID 91704694
2-methyl-3-[2-(oxolan-2-yl)ethyl]cyclopentan-1-one
CID 65165695
6-methyl-5-pentyloxan-2-one
CID 170782002
2-decyl-4-methylcyclohexan-1-one
CID 55185770
2-butyl-4-(dimethylamino)cyclohexan-1-one
CID 150896185
methyl 2-[(1S,2S)-2-butyl-3-oxocyclopentyl]acetate
CID 154944016
4-butyl-2-ethenylidene-1,3-dimethylpiperidine
CID 146344004
(4R)-4-butyl-2,3,4-trimethylcyclohexan-1-one
CID 171562770
trans-(2S,3S)-2-pentyl-3-prop-2-enylcyclopentan-1-one
CID 134987535

Frequently Asked Questions

What is the IUPAC name of trans-(2S,3R)-3-butyl-2-methylcyclopentan-1-one?
The IUPAC name of trans-(2S,3R)-3-butyl-2-methylcyclopentan-1-one (CID 124509063) is trans-(2S,3R)-3-butyl-2-methylcyclopentan-1-one.
What is the SMILES notation for trans-(2S,3R)-3-butyl-2-methylcyclopentan-1-one?
The canonical SMILES for trans-(2S,3R)-3-butyl-2-methylcyclopentan-1-one is CCCC[C@@H]1CCC(=O)[C@H]1C.
What is the InChIKey of trans-(2S,3R)-3-butyl-2-methylcyclopentan-1-one?
The InChIKey is CLIGNJSBPOXUGL-DTWKUNHWSA-N. The full InChI is InChI=1S/C10H18O/c1-3-4-5-9-6-7-10(11)8(9)2/h8-9H,3-7H2,1-2H3/t8-,9+/m0/s1.
What are the key properties of trans-(2S,3R)-3-butyl-2-methylcyclopentan-1-one?
trans-(2S,3R)-3-butyl-2-methylcyclopentan-1-one has a molecular weight of 154.25 g/mol, XLogP of 2.79, 3 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for trans-(2S,3R)-3-butyl-2-methylcyclopentan-1-one is sourced from PubChem (CID 124509063), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).