2-[1-(cyclohexylidenemethoxy)ethyl]oxocane

C16H28O2 — CID 176603972

IUPAC2-[1-(cyclohexylidenemethoxy)ethyl]oxocane
SMILESCC(OC=C1CCCCC1)C1CCCCCCO1
InChIInChI=1S/C16H28O2/c1-14(16-11-7-2-3-8-12-17-16)18-13-15-9-5-4-6-10-15/h13-14,16H,2-12H2,1H3
InChIKeyWPYHKCRDFISHFF-UHFFFAOYSA-N
MW252.40 g/mol
LogP4.59
Rot. Bonds3

About 2-[1-(cyclohexylidenemethoxy)ethyl]oxocane

2-[1-(cyclohexylidenemethoxy)ethyl]oxocane (PubChem CID 176603972) has the molecular formula C16H28O2 and a molecular weight of 252.40 g/mol. Its IUPAC name is 2-[1-(cyclohexylidenemethoxy)ethyl]oxocane.

Molecular Properties

Compound Name2-[1-(cyclohexylidenemethoxy)ethyl]oxocane
PubChem CID176603972
Molecular FormulaC16H28O2
Molecular Weight252.40 g/mol
Exact Mass252.21
IUPAC Name2-[1-(cyclohexylidenemethoxy)ethyl]oxocane
SMILESCC(OC=C1CCCCC1)C1CCCCCCO1
InChIInChI=1S/C16H28O2/c1-14(16-11-7-2-3-8-12-17-16)18-13-15-9-5-4-6-10-15/h13-14,16H,2-12H2,1H3
InChIKeyWPYHKCRDFISHFF-UHFFFAOYSA-N
XLogP4.59
TPSA18.46 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500252.40
LogP ≤ 54.59
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 2-[1-(cyclohexylidenemethoxy)ethyl]oxocane?
The IUPAC name of 2-[1-(cyclohexylidenemethoxy)ethyl]oxocane (CID 176603972) is 2-[1-(cyclohexylidenemethoxy)ethyl]oxocane.
What is the SMILES notation for 2-[1-(cyclohexylidenemethoxy)ethyl]oxocane?
The canonical SMILES for 2-[1-(cyclohexylidenemethoxy)ethyl]oxocane is CC(OC=C1CCCCC1)C1CCCCCCO1.
What is the InChIKey of 2-[1-(cyclohexylidenemethoxy)ethyl]oxocane?
The InChIKey is WPYHKCRDFISHFF-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H28O2/c1-14(16-11-7-2-3-8-12-17-16)18-13-15-9-5-4-6-10-15/h13-14,16H,2-12H2,1H3.
What are the key properties of 2-[1-(cyclohexylidenemethoxy)ethyl]oxocane?
2-[1-(cyclohexylidenemethoxy)ethyl]oxocane has a molecular weight of 252.40 g/mol, XLogP of 4.59, 3 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[1-(cyclohexylidenemethoxy)ethyl]oxocane is sourced from PubChem (CID 176603972), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).