3-[2-(cyclopentylidenemethoxy)ethyl]-3-methyloxetane

C12H20O2 — CID 176604517

IUPAC3-[2-(cyclopentylidenemethoxy)ethyl]-3-methyloxetane
SMILESCC1(CCOC=C2CCCC2)COC1
InChIInChI=1S/C12H20O2/c1-12(9-14-10-12)6-7-13-8-11-4-2-3-5-11/h8H,2-7,9-10H2,1H3
InChIKeyLNUNDAQXINUAPF-UHFFFAOYSA-N
MW196.29 g/mol
LogP2.89
Rot. Bonds4

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

3-[2-(cyclopentylidenemethoxy)ethyl]-3-methyloxetane (PubChem CID 176604517) has the molecular formula C12H20O2 and a molecular weight of 196.29 g/mol. Its IUPAC name is 3-[2-(cyclopentylidenemethoxy)ethyl]-3-methyloxetane.

Molecular Properties

Compound Name3-[2-(cyclopentylidenemethoxy)ethyl]-3-methyloxetane
PubChem CID176604517
Molecular FormulaC12H20O2
Molecular Weight196.29 g/mol
Exact Mass196.15
IUPAC Name3-[2-(cyclopentylidenemethoxy)ethyl]-3-methyloxetane
SMILESCC1(CCOC=C2CCCC2)COC1
InChIInChI=1S/C12H20O2/c1-12(9-14-10-12)6-7-13-8-11-4-2-3-5-11/h8H,2-7,9-10H2,1H3
InChIKeyLNUNDAQXINUAPF-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

3-[2-(Cyclohexylidenemethoxy)ethyl]-3-methyloxetane
CID 176603235
3-(Cyclopentylidenemethoxymethyl)-3-methyloxolane
CID 176603875
3-[2-(Cyclopentylidenemethoxy)ethyl]oxetane
CID 176605026
3-(Cyclopentylidenemethoxymethyl)-3-methyloxetane
CID 176605194
3-(Cyclopentylidenemethoxymethyl)-3-ethyloxetane
CID 176605346

Frequently Asked Questions

What is the IUPAC name of 3-[2-(cyclopentylidenemethoxy)ethyl]-3-methyloxetane?
The IUPAC name of 3-[2-(cyclopentylidenemethoxy)ethyl]-3-methyloxetane (CID 176604517) is 3-[2-(cyclopentylidenemethoxy)ethyl]-3-methyloxetane.
What is the SMILES notation for 3-[2-(cyclopentylidenemethoxy)ethyl]-3-methyloxetane?
The canonical SMILES for 3-[2-(cyclopentylidenemethoxy)ethyl]-3-methyloxetane is CC1(CCOC=C2CCCC2)COC1.
What is the InChIKey of 3-[2-(cyclopentylidenemethoxy)ethyl]-3-methyloxetane?
The InChIKey is LNUNDAQXINUAPF-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H20O2/c1-12(9-14-10-12)6-7-13-8-11-4-2-3-5-11/h8H,2-7,9-10H2,1H3.
What are the key properties of 3-[2-(cyclopentylidenemethoxy)ethyl]-3-methyloxetane?
3-[2-(cyclopentylidenemethoxy)ethyl]-3-methyloxetane 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]-3-methyloxetane is sourced from PubChem (CID 176604517), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).