3-(cyclohexylidenemethoxy)oxolane

C11H18O2 — CID 176603024

IUPAC3-(cyclohexylidenemethoxy)oxolane
SMILESC(OC1CCOC1)=C1CCCCC1
InChIInChI=1S/C11H18O2/c1-2-4-10(5-3-1)8-13-11-6-7-12-9-11/h8,11H,1-7,9H2
InChIKeyPHJWBSKNQJGLEB-UHFFFAOYSA-N
MW182.26 g/mol
LogP2.64
Rot. Bonds2

About 3-(cyclohexylidenemethoxy)oxolane

3-(cyclohexylidenemethoxy)oxolane (PubChem CID 176603024) has the molecular formula C11H18O2 and a molecular weight of 182.26 g/mol. Its IUPAC name is 3-(cyclohexylidenemethoxy)oxolane.

Molecular Properties

Compound Name3-(cyclohexylidenemethoxy)oxolane
PubChem CID176603024
Molecular FormulaC11H18O2
Molecular Weight182.26 g/mol
Exact Mass182.13
IUPAC Name3-(cyclohexylidenemethoxy)oxolane
SMILESC(OC1CCOC1)=C1CCCCC1
InChIInChI=1S/C11H18O2/c1-2-4-10(5-3-1)8-13-11-6-7-12-9-11/h8,11H,1-7,9H2
InChIKeyPHJWBSKNQJGLEB-UHFFFAOYSA-N
XLogP2.64
TPSA18.46 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500182.26
LogP ≤ 52.64
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'acyclic_C=C-O', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of 3-(cyclohexylidenemethoxy)oxolane?
The IUPAC name of 3-(cyclohexylidenemethoxy)oxolane (CID 176603024) is 3-(cyclohexylidenemethoxy)oxolane.
What is the SMILES notation for 3-(cyclohexylidenemethoxy)oxolane?
The canonical SMILES for 3-(cyclohexylidenemethoxy)oxolane is C(OC1CCOC1)=C1CCCCC1.
What is the InChIKey of 3-(cyclohexylidenemethoxy)oxolane?
The InChIKey is PHJWBSKNQJGLEB-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H18O2/c1-2-4-10(5-3-1)8-13-11-6-7-12-9-11/h8,11H,1-7,9H2.
What are the key properties of 3-(cyclohexylidenemethoxy)oxolane?
3-(cyclohexylidenemethoxy)oxolane has a molecular weight of 182.26 g/mol, XLogP of 2.64, 2 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 3-(cyclohexylidenemethoxy)oxolane is sourced from PubChem (CID 176603024), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).