(2S)-2-(4-methylcyclohexyl)oxirane

C9H16O — CID 146186873

IUPAC(2S)-2-(4-methylcyclohexyl)oxirane
SMILESCC1CCC([C@H]2CO2)CC1
InChIInChI=1S/C9H16O/c1-7-2-4-8(5-3-7)9-6-10-9/h7-9H,2-6H2,1H3/t7?,8?,9-/m1/s1
InChIKeyVAARQPOTUNNGOG-AMDVSUOASA-N
MW140.23 g/mol
LogP2.21
Rot. Bonds1

About (2S)-2-(4-methylcyclohexyl)oxirane

(2S)-2-(4-methylcyclohexyl)oxirane (PubChem CID 146186873) has the molecular formula C9H16O and a molecular weight of 140.23 g/mol. Its IUPAC name is (2S)-2-(4-methylcyclohexyl)oxirane.

Molecular Properties

Compound Name(2S)-2-(4-methylcyclohexyl)oxirane
PubChem CID146186873
Molecular FormulaC9H16O
Molecular Weight140.23 g/mol
Exact Mass140.12
IUPAC Name(2S)-2-(4-methylcyclohexyl)oxirane
SMILESCC1CCC([C@H]2CO2)CC1
InChIInChI=1S/C9H16O/c1-7-2-4-8(5-3-7)9-6-10-9/h7-9H,2-6H2,1H3/t7?,8?,9-/m1/s1
InChIKeyVAARQPOTUNNGOG-AMDVSUOASA-N
XLogP2.21
TPSA12.53 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds1
Heavy Atoms10
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500140.23
LogP ≤ 52.21
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 101

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Three-membered_heterocycle', 'substructure': 'N/A'}

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Related Compounds

Menthyl methyl ether, (-)-
CID 228343
1-Menthyl methyl ether
CID 102648
2-Methyl-5-(propan-2-yl)-7-oxabicyclo(4.1.0)heptane
CID 22130
2-Cyclohexyloxirane
CID 94264
Oxirane, 2-(5-methoxy-1,5-dimethylhexyl)-
CID 170303
4-tert-Butylcyclohexylidene oxide
CID 165039
6-Methyl-1-oxaspiro(2.5)octane
CID 14616896
1-Methoxy-4-(propan-2-yl)cyclohexane
CID 23594959
1,2-Epoxy-8-methylnonane
CID 17824992
Cyclohexane, (1-methoxyethyl)-
CID 106834
1-(2-Methoxypropan-2-yl)-4-methylcyclohexane
CID 21719757
2-(2-Cyclohexylethyl)-2-methyloxirane
CID 84108527

Frequently Asked Questions

What is the IUPAC name of (2S)-2-(4-methylcyclohexyl)oxirane?
The IUPAC name of (2S)-2-(4-methylcyclohexyl)oxirane (CID 146186873) is (2S)-2-(4-methylcyclohexyl)oxirane.
What is the SMILES notation for (2S)-2-(4-methylcyclohexyl)oxirane?
The canonical SMILES for (2S)-2-(4-methylcyclohexyl)oxirane is CC1CCC([C@H]2CO2)CC1.
What is the InChIKey of (2S)-2-(4-methylcyclohexyl)oxirane?
The InChIKey is VAARQPOTUNNGOG-AMDVSUOASA-N. The full InChI is InChI=1S/C9H16O/c1-7-2-4-8(5-3-7)9-6-10-9/h7-9H,2-6H2,1H3/t7?,8?,9-/m1/s1.
What are the key properties of (2S)-2-(4-methylcyclohexyl)oxirane?
(2S)-2-(4-methylcyclohexyl)oxirane has a molecular weight of 140.23 g/mol, XLogP of 2.21, 1 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for (2S)-2-(4-methylcyclohexyl)oxirane is sourced from PubChem (CID 146186873), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).