3-[3-(cyclohexylidenemethoxy)propyl]oxolane

Name: 3-[3-(cyclohexylidenemethoxy)propyl]oxolane — Molecular Data
Creator: MolForge
License: https://creativecommons.org/publicdomain/zero/1.0/

C₁₄H₂₄O₂ — CID 176604799

Data last refreshed: 2026-04-15 (MolForge compound catalog, from PubChem)

IUPAC3-[3-(cyclohexylidenemethoxy)propyl]oxolane

SMILESC(OCCCC1CCOC1)=C1CCCCC1

InChIInChI=1S/C14H24O2/c1-2-5-13(6-3-1)11-15-9-4-7-14-8-10-16-12-14/h11,14H,1-10,12H2

InChIKeySHKIAOGPYVBEIP-UHFFFAOYSA-N

MW224.34 g/mol

LogP3.67

Rot. Bonds5

About 3-[3-(cyclohexylidenemethoxy)propyl]oxolane

3-[3-(cyclohexylidenemethoxy)propyl]oxolane (PubChem CID 176604799) has the molecular formula C₁₄H₂₄O₂ and a molecular weight of 224.34 g/mol. Its IUPAC name is 3-[3-(cyclohexylidenemethoxy)propyl]oxolane.

Molecular Properties

Compound Name	3-[3-(cyclohexylidenemethoxy)propyl]oxolane
PubChem CID	176604799
Molecular Formula	C₁₄H₂₄O₂
Molecular Weight	224.34 g/mol
Exact Mass	224.18
IUPAC Name	3-[3-(cyclohexylidenemethoxy)propyl]oxolane
SMILES	C(OCCCC1CCOC1)=C1CCCCC1
InChI	InChI=1S/C14H24O2/c1-2-5-13(6-3-1)11-15-9-4-7-14-8-10-16-12-14/h11,14H,1-10,12H2
InChIKey	SHKIAOGPYVBEIP-UHFFFAOYSA-N
XLogP	3.67
TPSA	18.46 Å²
H-Bond Donors
H-Bond Acceptors	2
Rotatable Bonds	5
Heavy Atoms	16
Complexity	—

Lipinski Rule of Five

Passes Rule of Five

Rule	Value
MW ≤ 500	224.34
LogP ≤ 5	3.67
H-Bond Donors ≤ 5	0
H-Bond Acceptors ≤ 10	2

Computed Properties (RDKit)

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

Frequently Asked Questions

What is the IUPAC name of 3-[3-(cyclohexylidenemethoxy)propyl]oxolane?

The IUPAC name of 3-[3-(cyclohexylidenemethoxy)propyl]oxolane (CID 176604799) is 3-[3-(cyclohexylidenemethoxy)propyl]oxolane.

What is the SMILES notation for 3-[3-(cyclohexylidenemethoxy)propyl]oxolane?

The canonical SMILES for 3-[3-(cyclohexylidenemethoxy)propyl]oxolane is C(OCCCC1CCOC1)=C1CCCCC1.

What is the InChIKey of 3-[3-(cyclohexylidenemethoxy)propyl]oxolane?

The InChIKey is SHKIAOGPYVBEIP-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H24O2/c1-2-5-13(6-3-1)11-15-9-4-7-14-8-10-16-12-14/h11,14H,1-10,12H2.

What are the key properties of 3-[3-(cyclohexylidenemethoxy)propyl]oxolane?

3-[3-(cyclohexylidenemethoxy)propyl]oxolane has a molecular weight of 224.34 g/mol, XLogP of 3.67, 5 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.

Where does this data come from?

All data for 3-[3-(cyclohexylidenemethoxy)propyl]oxolane is sourced from PubChem (CID 176604799), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).

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Sources

PubChem CID 176604799 — identifiers, structure, computed properties (public domain)

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