3-[3-(cyclopentylidenemethoxy)propyl]oxetane

C12H20O2 — CID 176603959

IUPAC3-[3-(cyclopentylidenemethoxy)propyl]oxetane
SMILESC(OCCCC1COC1)=C1CCCC1
InChIInChI=1S/C12H20O2/c1-2-5-11(4-1)8-13-7-3-6-12-9-14-10-12/h8,12H,1-7,9-10H2
InChIKeyVMEGIRMLZUAMML-UHFFFAOYSA-N
MW196.29 g/mol
LogP2.89
Rot. Bonds5

About 3-[3-(cyclopentylidenemethoxy)propyl]oxetane

3-[3-(cyclopentylidenemethoxy)propyl]oxetane (PubChem CID 176603959) has the molecular formula C12H20O2 and a molecular weight of 196.29 g/mol. Its IUPAC name is 3-[3-(cyclopentylidenemethoxy)propyl]oxetane.

Molecular Properties

Compound Name3-[3-(cyclopentylidenemethoxy)propyl]oxetane
PubChem CID176603959
Molecular FormulaC12H20O2
Molecular Weight196.29 g/mol
Exact Mass196.15
IUPAC Name3-[3-(cyclopentylidenemethoxy)propyl]oxetane
SMILESC(OCCCC1COC1)=C1CCCC1
InChIInChI=1S/C12H20O2/c1-2-5-11(4-1)8-13-7-3-6-12-9-14-10-12/h8,12H,1-7,9-10H2
InChIKeyVMEGIRMLZUAMML-UHFFFAOYSA-N
XLogP2.89
TPSA18.46 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds5
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

3-[3-(2-Methylprop-1-enoxy)propyl]oxetane
CID 176603225
3-[2-(Cyclopentylidenemethoxy)ethyl]oxetane
CID 176605026
3-(Cyclopentylidenemethoxymethyl)oxane
CID 176605168

Frequently Asked Questions

What is the IUPAC name of 3-[3-(cyclopentylidenemethoxy)propyl]oxetane?
The IUPAC name of 3-[3-(cyclopentylidenemethoxy)propyl]oxetane (CID 176603959) is 3-[3-(cyclopentylidenemethoxy)propyl]oxetane.
What is the SMILES notation for 3-[3-(cyclopentylidenemethoxy)propyl]oxetane?
The canonical SMILES for 3-[3-(cyclopentylidenemethoxy)propyl]oxetane is C(OCCCC1COC1)=C1CCCC1.
What is the InChIKey of 3-[3-(cyclopentylidenemethoxy)propyl]oxetane?
The InChIKey is VMEGIRMLZUAMML-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H20O2/c1-2-5-11(4-1)8-13-7-3-6-12-9-14-10-12/h8,12H,1-7,9-10H2.
What are the key properties of 3-[3-(cyclopentylidenemethoxy)propyl]oxetane?
3-[3-(cyclopentylidenemethoxy)propyl]oxetane has a molecular weight of 196.29 g/mol, XLogP of 2.89, 5 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 3-[3-(cyclopentylidenemethoxy)propyl]oxetane is sourced from PubChem (CID 176603959), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).