2-cyclohexyl-3-methyloxirane

C9H16O — CID 14660746

IUPAC2-cyclohexyl-3-methyloxirane
SMILESCC1OC1C1CCCCC1
InChIInChI=1S/C9H16O/c1-7-9(10-7)8-5-3-2-4-6-8/h7-9H,2-6H2,1H3
InChIKeyXBEUQOKZRSGAQO-UHFFFAOYSA-N
MW140.23 g/mol
LogP2.35
Rot. Bonds1

About 2-cyclohexyl-3-methyloxirane

2-cyclohexyl-3-methyloxirane (PubChem CID 14660746) has the molecular formula C9H16O and a molecular weight of 140.23 g/mol. Its IUPAC name is 2-cyclohexyl-3-methyloxirane.

Molecular Properties

Compound Name2-cyclohexyl-3-methyloxirane
PubChem CID14660746
Molecular FormulaC9H16O
Molecular Weight140.23 g/mol
Exact Mass140.12
IUPAC Name2-cyclohexyl-3-methyloxirane
SMILESCC1OC1C1CCCCC1
InChIInChI=1S/C9H16O/c1-7-9(10-7)8-5-3-2-4-6-8/h7-9H,2-6H2,1H3
InChIKeyXBEUQOKZRSGAQO-UHFFFAOYSA-N
XLogP2.35
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 ≤ 52.35
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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Frequently Asked Questions

What is the IUPAC name of 2-cyclohexyl-3-methyloxirane?
The IUPAC name of 2-cyclohexyl-3-methyloxirane (CID 14660746) is 2-cyclohexyl-3-methyloxirane.
What is the SMILES notation for 2-cyclohexyl-3-methyloxirane?
The canonical SMILES for 2-cyclohexyl-3-methyloxirane is CC1OC1C1CCCCC1.
What is the InChIKey of 2-cyclohexyl-3-methyloxirane?
The InChIKey is XBEUQOKZRSGAQO-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H16O/c1-7-9(10-7)8-5-3-2-4-6-8/h7-9H,2-6H2,1H3.
What are the key properties of 2-cyclohexyl-3-methyloxirane?
2-cyclohexyl-3-methyloxirane has a molecular weight of 140.23 g/mol, XLogP of 2.35, 1 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 2-cyclohexyl-3-methyloxirane is sourced from PubChem (CID 14660746), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).