3-cyclohexyl-2-methyloxirane-2-carbaldehyde

C10H16O2 — CID 85423734

IUPAC3-cyclohexyl-2-methyloxirane-2-carbaldehyde
SMILESCC1(C=O)OC1C1CCCCC1
InChIInChI=1S/C10H16O2/c1-10(7-11)9(12-10)8-5-3-2-4-6-8/h7-9H,2-6H2,1H3
InChIKeyCQMAUKNIDNLWCS-UHFFFAOYSA-N
MW168.24 g/mol
LogP1.92
Rot. Bonds2

About 3-cyclohexyl-2-methyloxirane-2-carbaldehyde

3-cyclohexyl-2-methyloxirane-2-carbaldehyde (PubChem CID 85423734) has the molecular formula C10H16O2 and a molecular weight of 168.24 g/mol. Its IUPAC name is 3-cyclohexyl-2-methyloxirane-2-carbaldehyde.

Molecular Properties

Compound Name3-cyclohexyl-2-methyloxirane-2-carbaldehyde
PubChem CID85423734
Molecular FormulaC10H16O2
Molecular Weight168.24 g/mol
Exact Mass168.12
IUPAC Name3-cyclohexyl-2-methyloxirane-2-carbaldehyde
SMILESCC1(C=O)OC1C1CCCCC1
InChIInChI=1S/C10H16O2/c1-10(7-11)9(12-10)8-5-3-2-4-6-8/h7-9H,2-6H2,1H3
InChIKeyCQMAUKNIDNLWCS-UHFFFAOYSA-N
XLogP1.92
TPSA29.60 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms12
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500168.24
LogP ≤ 51.92
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of 3-cyclohexyl-2-methyloxirane-2-carbaldehyde?
The IUPAC name of 3-cyclohexyl-2-methyloxirane-2-carbaldehyde (CID 85423734) is 3-cyclohexyl-2-methyloxirane-2-carbaldehyde.
What is the SMILES notation for 3-cyclohexyl-2-methyloxirane-2-carbaldehyde?
The canonical SMILES for 3-cyclohexyl-2-methyloxirane-2-carbaldehyde is CC1(C=O)OC1C1CCCCC1.
What is the InChIKey of 3-cyclohexyl-2-methyloxirane-2-carbaldehyde?
The InChIKey is CQMAUKNIDNLWCS-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H16O2/c1-10(7-11)9(12-10)8-5-3-2-4-6-8/h7-9H,2-6H2,1H3.
What are the key properties of 3-cyclohexyl-2-methyloxirane-2-carbaldehyde?
3-cyclohexyl-2-methyloxirane-2-carbaldehyde has a molecular weight of 168.24 g/mol, XLogP of 1.92, 2 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 3-cyclohexyl-2-methyloxirane-2-carbaldehyde is sourced from PubChem (CID 85423734), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).