3-[2-(cyclohexylidenemethoxy)ethyl]oxocane

C16H28O2 — CID 176604471

IUPAC3-[2-(cyclohexylidenemethoxy)ethyl]oxocane
SMILESC(OCCC1CCCCCOC1)=C1CCCCC1
InChIInChI=1S/C16H28O2/c1-3-7-15(8-4-1)13-18-12-10-16-9-5-2-6-11-17-14-16/h13,16H,1-12,14H2
InChIKeyOJBVHRFFTUMGMM-UHFFFAOYSA-N
MW252.40 g/mol
LogP4.45
Rot. Bonds4

About 3-[2-(cyclohexylidenemethoxy)ethyl]oxocane

3-[2-(cyclohexylidenemethoxy)ethyl]oxocane (PubChem CID 176604471) has the molecular formula C16H28O2 and a molecular weight of 252.40 g/mol. Its IUPAC name is 3-[2-(cyclohexylidenemethoxy)ethyl]oxocane.

Molecular Properties

Compound Name3-[2-(cyclohexylidenemethoxy)ethyl]oxocane
PubChem CID176604471
Molecular FormulaC16H28O2
Molecular Weight252.40 g/mol
Exact Mass252.21
IUPAC Name3-[2-(cyclohexylidenemethoxy)ethyl]oxocane
SMILESC(OCCC1CCCCCOC1)=C1CCCCC1
InChIInChI=1S/C16H28O2/c1-3-7-15(8-4-1)13-18-12-10-16-9-5-2-6-11-17-14-16/h13,16H,1-12,14H2
InChIKeyOJBVHRFFTUMGMM-UHFFFAOYSA-N
XLogP4.45
TPSA18.46 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500252.40
LogP ≤ 54.45
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

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Related Compounds

Oxabicyclo[10.4.0]hexadecene
CID 129803099
2-[2-(Cyclohexylidenemethoxy)ethyl]-2-methyloxocane
CID 176603278
2-[3-(Cyclohexylidenemethoxy)propyl]oxocane
CID 176603505
3-[2-(2-Methylprop-1-enoxy)ethyl]oxocane
CID 176604005
2-[3-(Cyclohexylidenemethoxy)propyl]-2-ethyloxocane
CID 176604043
3-[2-(Cyclopentylidenemethoxy)ethyl]oxocane
CID 176604857
2-(Cyclohexylidenemethoxymethyl)-2-ethyloxocane
CID 176605121

Frequently Asked Questions

What is the IUPAC name of 3-[2-(cyclohexylidenemethoxy)ethyl]oxocane?
The IUPAC name of 3-[2-(cyclohexylidenemethoxy)ethyl]oxocane (CID 176604471) is 3-[2-(cyclohexylidenemethoxy)ethyl]oxocane.
What is the SMILES notation for 3-[2-(cyclohexylidenemethoxy)ethyl]oxocane?
The canonical SMILES for 3-[2-(cyclohexylidenemethoxy)ethyl]oxocane is C(OCCC1CCCCCOC1)=C1CCCCC1.
What is the InChIKey of 3-[2-(cyclohexylidenemethoxy)ethyl]oxocane?
The InChIKey is OJBVHRFFTUMGMM-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H28O2/c1-3-7-15(8-4-1)13-18-12-10-16-9-5-2-6-11-17-14-16/h13,16H,1-12,14H2.
What are the key properties of 3-[2-(cyclohexylidenemethoxy)ethyl]oxocane?
3-[2-(cyclohexylidenemethoxy)ethyl]oxocane has a molecular weight of 252.40 g/mol, XLogP of 4.45, 4 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 3-[2-(cyclohexylidenemethoxy)ethyl]oxocane is sourced from PubChem (CID 176604471), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).