2-(cyclohexen-1-yloxymethyl)oxirane;methane

C10H18O2 — CID 87370863

IUPAC2-(cyclohexen-1-yloxymethyl)oxirane;methane
SMILESC.C1=C(OCC2CO2)CCCC1
InChIInChI=1S/C9H14O2.CH4/c1-2-4-8(5-3-1)10-6-9-7-11-9;/h4,9H,1-3,5-7H2;1H4
InChIKeyNEPWRDCNVFDEDG-UHFFFAOYSA-N
MW170.25 g/mol
LogP2.50
Rot. Bonds3

About 2-(cyclohexen-1-yloxymethyl)oxirane;methane

2-(cyclohexen-1-yloxymethyl)oxirane;methane (PubChem CID 87370863) has the molecular formula C10H18O2 and a molecular weight of 170.25 g/mol. Its IUPAC name is 2-(cyclohexen-1-yloxymethyl)oxirane;methane.

Molecular Properties

Compound Name2-(cyclohexen-1-yloxymethyl)oxirane;methane
PubChem CID87370863
Molecular FormulaC10H18O2
Molecular Weight170.25 g/mol
Exact Mass170.13
IUPAC Name2-(cyclohexen-1-yloxymethyl)oxirane;methane
SMILESC.C1=C(OCC2CO2)CCCC1
InChIInChI=1S/C9H14O2.CH4/c1-2-4-8(5-3-1)10-6-9-7-11-9;/h4,9H,1-3,5-7H2;1H4
InChIKeyNEPWRDCNVFDEDG-UHFFFAOYSA-N
XLogP2.50
TPSA21.76 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms12
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500170.25
LogP ≤ 52.50
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-(cyclohexen-1-yloxymethyl)oxirane;methane?
The IUPAC name of 2-(cyclohexen-1-yloxymethyl)oxirane;methane (CID 87370863) is 2-(cyclohexen-1-yloxymethyl)oxirane;methane.
What is the SMILES notation for 2-(cyclohexen-1-yloxymethyl)oxirane;methane?
The canonical SMILES for 2-(cyclohexen-1-yloxymethyl)oxirane;methane is C.C1=C(OCC2CO2)CCCC1.
What is the InChIKey of 2-(cyclohexen-1-yloxymethyl)oxirane;methane?
The InChIKey is NEPWRDCNVFDEDG-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H14O2.CH4/c1-2-4-8(5-3-1)10-6-9-7-11-9;/h4,9H,1-3,5-7H2;1H4.
What are the key properties of 2-(cyclohexen-1-yloxymethyl)oxirane;methane?
2-(cyclohexen-1-yloxymethyl)oxirane;methane has a molecular weight of 170.25 g/mol, XLogP of 2.50, 3 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(cyclohexen-1-yloxymethyl)oxirane;methane is sourced from PubChem (CID 87370863), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).