4-[1-(cyclopentylidenemethoxy)ethyl]oxane

C13H22O2 — CID 176604681

IUPAC4-[1-(cyclopentylidenemethoxy)ethyl]oxane
SMILESCC(OC=C1CCCC1)C1CCOCC1
InChIInChI=1S/C13H22O2/c1-11(13-6-8-14-9-7-13)15-10-12-4-2-3-5-12/h10-11,13H,2-9H2,1H3
InChIKeyFLILAYGOANIFSX-UHFFFAOYSA-N
MW210.32 g/mol
LogP3.28
Rot. Bonds3

About 4-[1-(cyclopentylidenemethoxy)ethyl]oxane

4-[1-(cyclopentylidenemethoxy)ethyl]oxane (PubChem CID 176604681) has the molecular formula C13H22O2 and a molecular weight of 210.32 g/mol. Its IUPAC name is 4-[1-(cyclopentylidenemethoxy)ethyl]oxane.

Molecular Properties

Compound Name4-[1-(cyclopentylidenemethoxy)ethyl]oxane
PubChem CID176604681
Molecular FormulaC13H22O2
Molecular Weight210.32 g/mol
Exact Mass210.16
IUPAC Name4-[1-(cyclopentylidenemethoxy)ethyl]oxane
SMILESCC(OC=C1CCCC1)C1CCOCC1
InChIInChI=1S/C13H22O2/c1-11(13-6-8-14-9-7-13)15-10-12-4-2-3-5-12/h10-11,13H,2-9H2,1H3
InChIKeyFLILAYGOANIFSX-UHFFFAOYSA-N
XLogP3.28
TPSA18.46 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds3
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'}

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Related Compounds

4-(1-Ethoxyethenyl)oxane
CID 117636259
4-(1-Methoxyethenyl)oxane
CID 124188721
4-[1-(Cyclohexylidenemethoxy)ethyl]oxane
CID 176602976
4-[2-(Cyclopentylidenemethoxy)ethyl]oxane
CID 176603001
4-(Cyclopentylidenemethoxy)oxane
CID 176603057
3-[1-(Cyclopentylidenemethoxy)ethyl]oxolane
CID 176603244
4-(Cyclopentylidenemethoxymethyl)-4-ethyloxane
CID 176604071
4-(Cyclopentylidenemethoxymethyl)-4-methyloxane
CID 176604122
4-[1-(2-Methylprop-1-enoxy)ethyl]oxane
CID 176604502
3-(Cyclopentylidenemethoxy)oxane
CID 176604530
3-[2-(Cyclohexylidenemethoxy)ethyl]-2-methyloxane
CID 176604926
3-[1-(Cyclohexylidenemethoxy)ethyl]oxolane
CID 176605004

Frequently Asked Questions

What is the IUPAC name of 4-[1-(cyclopentylidenemethoxy)ethyl]oxane?
The IUPAC name of 4-[1-(cyclopentylidenemethoxy)ethyl]oxane (CID 176604681) is 4-[1-(cyclopentylidenemethoxy)ethyl]oxane.
What is the SMILES notation for 4-[1-(cyclopentylidenemethoxy)ethyl]oxane?
The canonical SMILES for 4-[1-(cyclopentylidenemethoxy)ethyl]oxane is CC(OC=C1CCCC1)C1CCOCC1.
What is the InChIKey of 4-[1-(cyclopentylidenemethoxy)ethyl]oxane?
The InChIKey is FLILAYGOANIFSX-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H22O2/c1-11(13-6-8-14-9-7-13)15-10-12-4-2-3-5-12/h10-11,13H,2-9H2,1H3.
What are the key properties of 4-[1-(cyclopentylidenemethoxy)ethyl]oxane?
4-[1-(cyclopentylidenemethoxy)ethyl]oxane has a molecular weight of 210.32 g/mol, XLogP of 3.28, 3 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 4-[1-(cyclopentylidenemethoxy)ethyl]oxane is sourced from PubChem (CID 176604681), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).