3-(cyclopentylidenemethoxymethyl)oxane

C12H20O2 — CID 176605168

IUPAC3-(cyclopentylidenemethoxymethyl)oxane
SMILESC(OCC1CCCOC1)=C1CCCC1
InChIInChI=1S/C12H20O2/c1-2-5-11(4-1)8-14-10-12-6-3-7-13-9-12/h8,12H,1-7,9-10H2
InChIKeyVIYCTNFVVRAQSY-UHFFFAOYSA-N
MW196.29 g/mol
LogP2.89
Rot. Bonds3

About 3-(cyclopentylidenemethoxymethyl)oxane

3-(cyclopentylidenemethoxymethyl)oxane (PubChem CID 176605168) has the molecular formula C12H20O2 and a molecular weight of 196.29 g/mol. Its IUPAC name is 3-(cyclopentylidenemethoxymethyl)oxane.

Molecular Properties

Compound Name3-(cyclopentylidenemethoxymethyl)oxane
PubChem CID176605168
Molecular FormulaC12H20O2
Molecular Weight196.29 g/mol
Exact Mass196.15
IUPAC Name3-(cyclopentylidenemethoxymethyl)oxane
SMILESC(OCC1CCCOC1)=C1CCCC1
InChIInChI=1S/C12H20O2/c1-2-5-11(4-1)8-14-10-12-6-3-7-13-9-12/h8,12H,1-7,9-10H2
InChIKeyVIYCTNFVVRAQSY-UHFFFAOYSA-N
XLogP2.89
TPSA18.46 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500196.29
LogP ≤ 52.89
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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Related Compounds

3-[1-(Cyclopentylidenemethoxy)ethyl]oxane
CID 176602951
4-[2-(Cyclopentylidenemethoxy)ethyl]oxane
CID 176603001
3-[3-(Cyclopentylidenemethoxy)propyl]oxane
CID 176603781
3-[3-(Cyclopentylidenemethoxy)propyl]oxetane
CID 176603959
3-(Cyclohexylidenemethoxymethyl)oxane
CID 176604204
3-(Cyclopentylidenemethoxymethyl)-3-ethyloxane
CID 176604666
4-[3-(Cyclopentylidenemethoxy)propyl]oxane
CID 176604871
4-(Cyclopentylidenemethoxymethyl)oxane
CID 176605017
3-(Cyclopentylidenemethoxymethyl)-3-methyloxane
CID 176605148
3-(2-Methylprop-1-enoxymethyl)oxane
CID 176605197

Frequently Asked Questions

What is the IUPAC name of 3-(cyclopentylidenemethoxymethyl)oxane?
The IUPAC name of 3-(cyclopentylidenemethoxymethyl)oxane (CID 176605168) is 3-(cyclopentylidenemethoxymethyl)oxane.
What is the SMILES notation for 3-(cyclopentylidenemethoxymethyl)oxane?
The canonical SMILES for 3-(cyclopentylidenemethoxymethyl)oxane is C(OCC1CCCOC1)=C1CCCC1.
What is the InChIKey of 3-(cyclopentylidenemethoxymethyl)oxane?
The InChIKey is VIYCTNFVVRAQSY-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H20O2/c1-2-5-11(4-1)8-14-10-12-6-3-7-13-9-12/h8,12H,1-7,9-10H2.
What are the key properties of 3-(cyclopentylidenemethoxymethyl)oxane?
3-(cyclopentylidenemethoxymethyl)oxane has a molecular weight of 196.29 g/mol, XLogP of 2.89, 3 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 3-(cyclopentylidenemethoxymethyl)oxane is sourced from PubChem (CID 176605168), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).