4-[2-(cyclopentylidenemethoxy)ethyl]oxane

C13H22O2 — CID 176603001

IUPAC4-[2-(cyclopentylidenemethoxy)ethyl]oxane
SMILESC(OCCC1CCOCC1)=C1CCCC1
InChIInChI=1S/C13H22O2/c1-2-4-13(3-1)11-15-10-7-12-5-8-14-9-6-12/h11-12H,1-10H2
InChIKeyHIPCKRXYYJEDMR-UHFFFAOYSA-N
MW210.32 g/mol
LogP3.28
Rot. Bonds4

About 4-[2-(cyclopentylidenemethoxy)ethyl]oxane

4-[2-(cyclopentylidenemethoxy)ethyl]oxane (PubChem CID 176603001) has the molecular formula C13H22O2 and a molecular weight of 210.32 g/mol. Its IUPAC name is 4-[2-(cyclopentylidenemethoxy)ethyl]oxane.

Molecular Properties

Compound Name4-[2-(cyclopentylidenemethoxy)ethyl]oxane
PubChem CID176603001
Molecular FormulaC13H22O2
Molecular Weight210.32 g/mol
Exact Mass210.16
IUPAC Name4-[2-(cyclopentylidenemethoxy)ethyl]oxane
SMILESC(OCCC1CCOCC1)=C1CCCC1
InChIInChI=1S/C13H22O2/c1-2-4-13(3-1)11-15-10-7-12-5-8-14-9-6-12/h11-12H,1-10H2
InChIKeyHIPCKRXYYJEDMR-UHFFFAOYSA-N
XLogP3.28
TPSA18.46 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500210.32
LogP ≤ 53.28
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-(Cyclopentylidenemethoxy)ethyl]oxolane
CID 176603117
3-[3-(Cyclopentylidenemethoxy)propyl]oxane
CID 176603781
4-[2-(2-Methylprop-1-enoxy)ethyl]oxane
CID 176604140
4-[2-(Cyclopentylidenemethoxy)ethyl]-4-methyloxane
CID 176604630
4-[1-(Cyclopentylidenemethoxy)ethyl]oxane
CID 176604681
3-[2-(Cyclohexylidenemethoxy)ethyl]oxolane
CID 176604719
4-[3-(Cyclopentylidenemethoxy)propyl]oxane
CID 176604871
4-(Cyclopentylidenemethoxymethyl)oxane
CID 176605017
3-[2-(Cyclopentylidenemethoxy)ethyl]oxane
CID 176605131
3-(Cyclopentylidenemethoxymethyl)oxane
CID 176605168
4-[2-(Cyclohexylidenemethoxy)ethyl]oxane
CID 176605365

Frequently Asked Questions

What is the IUPAC name of 4-[2-(cyclopentylidenemethoxy)ethyl]oxane?
The IUPAC name of 4-[2-(cyclopentylidenemethoxy)ethyl]oxane (CID 176603001) is 4-[2-(cyclopentylidenemethoxy)ethyl]oxane.
What is the SMILES notation for 4-[2-(cyclopentylidenemethoxy)ethyl]oxane?
The canonical SMILES for 4-[2-(cyclopentylidenemethoxy)ethyl]oxane is C(OCCC1CCOCC1)=C1CCCC1.
What is the InChIKey of 4-[2-(cyclopentylidenemethoxy)ethyl]oxane?
The InChIKey is HIPCKRXYYJEDMR-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H22O2/c1-2-4-13(3-1)11-15-10-7-12-5-8-14-9-6-12/h11-12H,1-10H2.
What are the key properties of 4-[2-(cyclopentylidenemethoxy)ethyl]oxane?
4-[2-(cyclopentylidenemethoxy)ethyl]oxane has a molecular weight of 210.32 g/mol, XLogP of 3.28, 4 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 4-[2-(cyclopentylidenemethoxy)ethyl]oxane is sourced from PubChem (CID 176603001), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).