6-[(2S)-butan-2-yl]cyclohex-2-en-1-one

C10H16O — CID 118141061

IUPAC6-[(2S)-butan-2-yl]cyclohex-2-en-1-one
SMILESCC[C@H](C)C1CCC=CC1=O
InChIInChI=1S/C10H16O/c1-3-8(2)9-6-4-5-7-10(9)11/h5,7-9H,3-4,6H2,1-2H3/t8-,9?/m0/s1
InChIKeyRBBVONUBUSBRCN-IENPIDJESA-N
MW152.24 g/mol
LogP2.57
Rot. Bonds2

About 6-[(2S)-butan-2-yl]cyclohex-2-en-1-one

6-[(2S)-butan-2-yl]cyclohex-2-en-1-one (PubChem CID 118141061) has the molecular formula C10H16O and a molecular weight of 152.24 g/mol. Its IUPAC name is 6-[(2S)-butan-2-yl]cyclohex-2-en-1-one.

Molecular Properties

Compound Name6-[(2S)-butan-2-yl]cyclohex-2-en-1-one
PubChem CID118141061
Molecular FormulaC10H16O
Molecular Weight152.24 g/mol
Exact Mass152.12
IUPAC Name6-[(2S)-butan-2-yl]cyclohex-2-en-1-one
SMILESCC[C@H](C)C1CCC=CC1=O
InChIInChI=1S/C10H16O/c1-3-8(2)9-6-4-5-7-10(9)11/h5,7-9H,3-4,6H2,1-2H3/t8-,9?/m0/s1
InChIKeyRBBVONUBUSBRCN-IENPIDJESA-N
XLogP2.57
TPSA17.07 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds2
Heavy Atoms11
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500152.24
LogP ≤ 52.57
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 101

Analyze 6-[(2S)-butan-2-yl]cyclohex-2-en-1-one with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

6-propan-2-ylcyclohex-2-en-1-one
CID 12657624
6-(diethoxymethyl)cyclohex-2-en-1-one
CID 12721731
(2S)-2-butan-2-ylcyclopentan-1-one
CID 89019015
(2S)-2-[(2S)-butan-2-yl]cyclohexan-1-one
CID 6992619
(3R)-3-[(2R)-butan-2-yl]cyclopentene
CID 143832917
6-heptylcyclohex-2-en-1-one
CID 19005489
(4S)-4-[(2S)-butan-2-yl]cyclohexene
CID 175915978
(2S)-2-aminopropanoic acid;6-methylcyclohex-2-en-1-one
CID 143687335
2-butan-2-ylcyclohexan-1-one;ethanol
CID 175323159
(7R)-7-methylcyclohept-2-en-1-one
CID 13297857
7-methylcyclohept-2-en-1-one
CID 11309509
3-butan-2-yl-2,3-dihydroinden-1-one
CID 146549905

Frequently Asked Questions

What is the IUPAC name of 6-[(2S)-butan-2-yl]cyclohex-2-en-1-one?
The IUPAC name of 6-[(2S)-butan-2-yl]cyclohex-2-en-1-one (CID 118141061) is 6-[(2S)-butan-2-yl]cyclohex-2-en-1-one.
What is the SMILES notation for 6-[(2S)-butan-2-yl]cyclohex-2-en-1-one?
The canonical SMILES for 6-[(2S)-butan-2-yl]cyclohex-2-en-1-one is CC[C@H](C)C1CCC=CC1=O.
What is the InChIKey of 6-[(2S)-butan-2-yl]cyclohex-2-en-1-one?
The InChIKey is RBBVONUBUSBRCN-IENPIDJESA-N. The full InChI is InChI=1S/C10H16O/c1-3-8(2)9-6-4-5-7-10(9)11/h5,7-9H,3-4,6H2,1-2H3/t8-,9?/m0/s1.
What are the key properties of 6-[(2S)-butan-2-yl]cyclohex-2-en-1-one?
6-[(2S)-butan-2-yl]cyclohex-2-en-1-one has a molecular weight of 152.24 g/mol, XLogP of 2.57, 2 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 6-[(2S)-butan-2-yl]cyclohex-2-en-1-one is sourced from PubChem (CID 118141061), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).