3-[2-(cyclopentylidenemethoxy)ethyl]oxolane

C12H20O2 — CID 176603117

IUPAC3-[2-(cyclopentylidenemethoxy)ethyl]oxolane
SMILESC(OCCC1CCOC1)=C1CCCC1
InChIInChI=1S/C12H20O2/c1-2-4-11(3-1)9-13-7-5-12-6-8-14-10-12/h9,12H,1-8,10H2
InChIKeyQQIOHBJOEQVVPL-UHFFFAOYSA-N
MW196.29 g/mol
LogP2.89
Rot. Bonds4

About 3-[2-(cyclopentylidenemethoxy)ethyl]oxolane

3-[2-(cyclopentylidenemethoxy)ethyl]oxolane (PubChem CID 176603117) has the molecular formula C12H20O2 and a molecular weight of 196.29 g/mol. Its IUPAC name is 3-[2-(cyclopentylidenemethoxy)ethyl]oxolane.

Molecular Properties

Compound Name3-[2-(cyclopentylidenemethoxy)ethyl]oxolane
PubChem CID176603117
Molecular FormulaC12H20O2
Molecular Weight196.29 g/mol
Exact Mass196.15
IUPAC Name3-[2-(cyclopentylidenemethoxy)ethyl]oxolane
SMILESC(OCCC1CCOC1)=C1CCCC1
InChIInChI=1S/C12H20O2/c1-2-4-11(3-1)9-13-7-5-12-6-8-14-10-12/h9,12H,1-8,10H2
InChIKeyQQIOHBJOEQVVPL-UHFFFAOYSA-N
XLogP2.89
TPSA18.46 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds4
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'}, {'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}

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Related Compounds

4-[2-(Cyclopentylidenemethoxy)ethyl]oxane
CID 176603001
3-[1-(Cyclopentylidenemethoxy)ethyl]oxolane
CID 176603244
3-(Cyclopentylidenemethoxymethyl)oxolane
CID 176603264
3-[2-(2-Methylprop-1-enoxy)ethyl]oxolane
CID 176603768
3-[3-(Cyclopentylidenemethoxy)propyl]oxolane
CID 176604301
3-[2-(Cyclohexylidenemethoxy)ethyl]oxolane
CID 176604719
4-(Cyclopentylidenemethoxymethyl)oxane
CID 176605017
3-[2-(Cyclopentylidenemethoxy)ethyl]-3-methyloxolane
CID 176605068

Frequently Asked Questions

What is the IUPAC name of 3-[2-(cyclopentylidenemethoxy)ethyl]oxolane?
The IUPAC name of 3-[2-(cyclopentylidenemethoxy)ethyl]oxolane (CID 176603117) is 3-[2-(cyclopentylidenemethoxy)ethyl]oxolane.
What is the SMILES notation for 3-[2-(cyclopentylidenemethoxy)ethyl]oxolane?
The canonical SMILES for 3-[2-(cyclopentylidenemethoxy)ethyl]oxolane is C(OCCC1CCOC1)=C1CCCC1.
What is the InChIKey of 3-[2-(cyclopentylidenemethoxy)ethyl]oxolane?
The InChIKey is QQIOHBJOEQVVPL-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H20O2/c1-2-4-11(3-1)9-13-7-5-12-6-8-14-10-12/h9,12H,1-8,10H2.
What are the key properties of 3-[2-(cyclopentylidenemethoxy)ethyl]oxolane?
3-[2-(cyclopentylidenemethoxy)ethyl]oxolane has a molecular weight of 196.29 g/mol, XLogP of 2.89, 4 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 3-[2-(cyclopentylidenemethoxy)ethyl]oxolane is sourced from PubChem (CID 176603117), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).