3-[3-(cyclopentylidenemethoxy)propyl]-3-ethyloxetane

C14H24O2 — CID 176603948

IUPAC3-[3-(cyclopentylidenemethoxy)propyl]-3-ethyloxetane
SMILESCCC1(CCCOC=C2CCCC2)COC1
InChIInChI=1S/C14H24O2/c1-2-14(11-16-12-14)8-5-9-15-10-13-6-3-4-7-13/h10H,2-9,11-12H2,1H3
InChIKeyKSSQFMOGHIJSGK-UHFFFAOYSA-N
MW224.34 g/mol
LogP3.67
Rot. Bonds6

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

3-[3-(cyclopentylidenemethoxy)propyl]-3-ethyloxetane (PubChem CID 176603948) has the molecular formula C14H24O2 and a molecular weight of 224.34 g/mol. Its IUPAC name is 3-[3-(cyclopentylidenemethoxy)propyl]-3-ethyloxetane.

Molecular Properties

Compound Name3-[3-(cyclopentylidenemethoxy)propyl]-3-ethyloxetane
PubChem CID176603948
Molecular FormulaC14H24O2
Molecular Weight224.34 g/mol
Exact Mass224.18
IUPAC Name3-[3-(cyclopentylidenemethoxy)propyl]-3-ethyloxetane
SMILESCCC1(CCCOC=C2CCCC2)COC1
InChIInChI=1S/C14H24O2/c1-2-14(11-16-12-14)8-5-9-15-10-13-6-3-4-7-13/h10H,2-9,11-12H2,1H3
InChIKeyKSSQFMOGHIJSGK-UHFFFAOYSA-N
XLogP3.67
TPSA18.46 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds6
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500224.34
LogP ≤ 53.67
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

1-(Methoxymethyl)-1-methyl-3-methylidenecyclopentane;1-methoxypropa-1,2-diene
CID 142115726
3-[3-(Cyclohexylidenemethoxy)propyl]-3-ethyloxetane
CID 176603255
3-[3-(Cyclopentylidenemethoxy)propyl]-3-ethyloxolane
CID 176603521
3-(Cyclopentylidenemethoxymethyl)-3-ethyloxane
CID 176604666
3-Ethyl-3-[3-(2-methylprop-1-enoxy)propyl]oxetane
CID 176604781

Frequently Asked Questions

What is the IUPAC name of 3-[3-(cyclopentylidenemethoxy)propyl]-3-ethyloxetane?
The IUPAC name of 3-[3-(cyclopentylidenemethoxy)propyl]-3-ethyloxetane (CID 176603948) is 3-[3-(cyclopentylidenemethoxy)propyl]-3-ethyloxetane.
What is the SMILES notation for 3-[3-(cyclopentylidenemethoxy)propyl]-3-ethyloxetane?
The canonical SMILES for 3-[3-(cyclopentylidenemethoxy)propyl]-3-ethyloxetane is CCC1(CCCOC=C2CCCC2)COC1.
What is the InChIKey of 3-[3-(cyclopentylidenemethoxy)propyl]-3-ethyloxetane?
The InChIKey is KSSQFMOGHIJSGK-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H24O2/c1-2-14(11-16-12-14)8-5-9-15-10-13-6-3-4-7-13/h10H,2-9,11-12H2,1H3.
What are the key properties of 3-[3-(cyclopentylidenemethoxy)propyl]-3-ethyloxetane?
3-[3-(cyclopentylidenemethoxy)propyl]-3-ethyloxetane has a molecular weight of 224.34 g/mol, XLogP of 3.67, 6 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 3-[3-(cyclopentylidenemethoxy)propyl]-3-ethyloxetane is sourced from PubChem (CID 176603948), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).