2-[(4-prop-1-enylcyclohexyl)oxymethyl]oxirane

C12H20O2 — CID 159085358

IUPAC2-[(4-prop-1-enylcyclohexyl)oxymethyl]oxirane
SMILESCC=CC1CCC(OCC2CO2)CC1
InChIInChI=1S/C12H20O2/c1-2-3-10-4-6-11(7-5-10)13-8-12-9-14-12/h2-3,10-12H,4-9H2,1H3
InChIKeyKBJNYPZGDWNHHH-UHFFFAOYSA-N
MW196.29 g/mol
LogP2.54
Rot. Bonds4

About 2-[(4-prop-1-enylcyclohexyl)oxymethyl]oxirane

2-[(4-prop-1-enylcyclohexyl)oxymethyl]oxirane (PubChem CID 159085358) has the molecular formula C12H20O2 and a molecular weight of 196.29 g/mol. Its IUPAC name is 2-[(4-prop-1-enylcyclohexyl)oxymethyl]oxirane.

Molecular Properties

Compound Name2-[(4-prop-1-enylcyclohexyl)oxymethyl]oxirane
PubChem CID159085358
Molecular FormulaC12H20O2
Molecular Weight196.29 g/mol
Exact Mass196.15
IUPAC Name2-[(4-prop-1-enylcyclohexyl)oxymethyl]oxirane
SMILESCC=CC1CCC(OCC2CO2)CC1
InChIInChI=1S/C12H20O2/c1-2-3-10-4-6-11(7-5-10)13-8-12-9-14-12/h2-3,10-12H,4-9H2,1H3
InChIKeyKBJNYPZGDWNHHH-UHFFFAOYSA-N
XLogP2.54
TPSA21.76 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500196.29
LogP ≤ 52.54
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of 2-[(4-prop-1-enylcyclohexyl)oxymethyl]oxirane?
The IUPAC name of 2-[(4-prop-1-enylcyclohexyl)oxymethyl]oxirane (CID 159085358) is 2-[(4-prop-1-enylcyclohexyl)oxymethyl]oxirane.
What is the SMILES notation for 2-[(4-prop-1-enylcyclohexyl)oxymethyl]oxirane?
The canonical SMILES for 2-[(4-prop-1-enylcyclohexyl)oxymethyl]oxirane is CC=CC1CCC(OCC2CO2)CC1.
What is the InChIKey of 2-[(4-prop-1-enylcyclohexyl)oxymethyl]oxirane?
The InChIKey is KBJNYPZGDWNHHH-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H20O2/c1-2-3-10-4-6-11(7-5-10)13-8-12-9-14-12/h2-3,10-12H,4-9H2,1H3.
What are the key properties of 2-[(4-prop-1-enylcyclohexyl)oxymethyl]oxirane?
2-[(4-prop-1-enylcyclohexyl)oxymethyl]oxirane has a molecular weight of 196.29 g/mol, XLogP of 2.54, 4 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[(4-prop-1-enylcyclohexyl)oxymethyl]oxirane is sourced from PubChem (CID 159085358), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).