3-[3-(cyclopentylidenemethoxy)propyl]oxane

C14H24O2 — CID 176603781

IUPAC3-[3-(cyclopentylidenemethoxy)propyl]oxane
SMILESC(OCCCC1CCCOC1)=C1CCCC1
InChIInChI=1S/C14H24O2/c1-2-6-13(5-1)11-15-9-3-7-14-8-4-10-16-12-14/h11,14H,1-10,12H2
InChIKeyHQZKMOKMKVGHQI-UHFFFAOYSA-N
MW224.34 g/mol
LogP3.67
Rot. Bonds5

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

3-[3-(cyclopentylidenemethoxy)propyl]oxane (PubChem CID 176603781) has the molecular formula C14H24O2 and a molecular weight of 224.34 g/mol. Its IUPAC name is 3-[3-(cyclopentylidenemethoxy)propyl]oxane.

Molecular Properties

Compound Name3-[3-(cyclopentylidenemethoxy)propyl]oxane
PubChem CID176603781
Molecular FormulaC14H24O2
Molecular Weight224.34 g/mol
Exact Mass224.18
IUPAC Name3-[3-(cyclopentylidenemethoxy)propyl]oxane
SMILESC(OCCCC1CCCOC1)=C1CCCC1
InChIInChI=1S/C14H24O2/c1-2-6-13(5-1)11-15-9-3-7-14-8-4-10-16-12-14/h11,14H,1-10,12H2
InChIKeyHQZKMOKMKVGHQI-UHFFFAOYSA-N
XLogP3.67
TPSA18.46 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds5
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

3-(2,3-Dihydrofuran-3-ylmethyl)oxane
CID 163749743
3-[1-(Cyclopentylidenemethoxy)ethyl]oxane
CID 176602951
4-[2-(Cyclopentylidenemethoxy)ethyl]oxane
CID 176603001
3-[3-(Cyclopentylidenemethoxy)propyl]-3-ethyloxane
CID 176603059
3-[3-(Cyclopentylidenemethoxy)propyl]oxolane
CID 176604301
3-[3-(2-Methylprop-1-enoxy)propyl]oxane
CID 176604413
3-(Cyclopentylidenemethoxymethyl)-3-ethyloxane
CID 176604666
3-[3-(Cyclohexylidenemethoxy)propyl]oxolane
CID 176604799
4-[3-(Cyclopentylidenemethoxy)propyl]oxane
CID 176604871
3-[3-(Cyclopentylidenemethoxy)propyl]oxepane
CID 176605030
3-[2-(Cyclopentylidenemethoxy)ethyl]oxane
CID 176605131
3-(Cyclopentylidenemethoxymethyl)oxane
CID 176605168

Frequently Asked Questions

What is the IUPAC name of 3-[3-(cyclopentylidenemethoxy)propyl]oxane?
The IUPAC name of 3-[3-(cyclopentylidenemethoxy)propyl]oxane (CID 176603781) is 3-[3-(cyclopentylidenemethoxy)propyl]oxane.
What is the SMILES notation for 3-[3-(cyclopentylidenemethoxy)propyl]oxane?
The canonical SMILES for 3-[3-(cyclopentylidenemethoxy)propyl]oxane is C(OCCCC1CCCOC1)=C1CCCC1.
What is the InChIKey of 3-[3-(cyclopentylidenemethoxy)propyl]oxane?
The InChIKey is HQZKMOKMKVGHQI-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H24O2/c1-2-6-13(5-1)11-15-9-3-7-14-8-4-10-16-12-14/h11,14H,1-10,12H2.
What are the key properties of 3-[3-(cyclopentylidenemethoxy)propyl]oxane?
3-[3-(cyclopentylidenemethoxy)propyl]oxane has a molecular weight of 224.34 g/mol, XLogP of 3.67, 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]oxane is sourced from PubChem (CID 176603781), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).