2-(4-methylcyclohexyl)oxy-3-propyloxirane

C12H22O2 — CID 90826316

IUPAC2-(4-methylcyclohexyl)oxy-3-propyloxirane
SMILESCCCC1OC1OC1CCC(C)CC1
InChIInChI=1S/C12H22O2/c1-3-4-11-12(14-11)13-10-7-5-9(2)6-8-10/h9-12H,3-8H2,1-2H3
InChIKeyWNOSSRLFDJTCEP-UHFFFAOYSA-N
MW198.31 g/mol
LogP3.11
Rot. Bonds4

About 2-(4-methylcyclohexyl)oxy-3-propyloxirane

2-(4-methylcyclohexyl)oxy-3-propyloxirane (PubChem CID 90826316) has the molecular formula C12H22O2 and a molecular weight of 198.31 g/mol. Its IUPAC name is 2-(4-methylcyclohexyl)oxy-3-propyloxirane.

Molecular Properties

Compound Name2-(4-methylcyclohexyl)oxy-3-propyloxirane
PubChem CID90826316
Molecular FormulaC12H22O2
Molecular Weight198.31 g/mol
Exact Mass198.16
IUPAC Name2-(4-methylcyclohexyl)oxy-3-propyloxirane
SMILESCCCC1OC1OC1CCC(C)CC1
InChIInChI=1S/C12H22O2/c1-3-4-11-12(14-11)13-10-7-5-9(2)6-8-10/h9-12H,3-8H2,1-2H3
InChIKeyWNOSSRLFDJTCEP-UHFFFAOYSA-N
XLogP3.11
TPSA21.76 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500198.31
LogP ≤ 53.11
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

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-(4-methylcyclohexyl)oxy-3-propyloxirane?
The IUPAC name of 2-(4-methylcyclohexyl)oxy-3-propyloxirane (CID 90826316) is 2-(4-methylcyclohexyl)oxy-3-propyloxirane.
What is the SMILES notation for 2-(4-methylcyclohexyl)oxy-3-propyloxirane?
The canonical SMILES for 2-(4-methylcyclohexyl)oxy-3-propyloxirane is CCCC1OC1OC1CCC(C)CC1.
What is the InChIKey of 2-(4-methylcyclohexyl)oxy-3-propyloxirane?
The InChIKey is WNOSSRLFDJTCEP-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H22O2/c1-3-4-11-12(14-11)13-10-7-5-9(2)6-8-10/h9-12H,3-8H2,1-2H3.
What are the key properties of 2-(4-methylcyclohexyl)oxy-3-propyloxirane?
2-(4-methylcyclohexyl)oxy-3-propyloxirane has a molecular weight of 198.31 g/mol, XLogP of 3.11, 4 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(4-methylcyclohexyl)oxy-3-propyloxirane is sourced from PubChem (CID 90826316), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).