4-(cyclopentylidenemethoxymethyl)oxane

C12H20O2 — CID 176605017

IUPAC4-(cyclopentylidenemethoxymethyl)oxane
SMILESC(OCC1CCOCC1)=C1CCCC1
InChIInChI=1S/C12H20O2/c1-2-4-11(3-1)9-14-10-12-5-7-13-8-6-12/h9,12H,1-8,10H2
InChIKeyNAUUEDRHISEHBU-UHFFFAOYSA-N
MW196.29 g/mol
LogP2.89
Rot. Bonds3

About 4-(cyclopentylidenemethoxymethyl)oxane

4-(cyclopentylidenemethoxymethyl)oxane (PubChem CID 176605017) has the molecular formula C12H20O2 and a molecular weight of 196.29 g/mol. Its IUPAC name is 4-(cyclopentylidenemethoxymethyl)oxane.

Molecular Properties

Compound Name4-(cyclopentylidenemethoxymethyl)oxane
PubChem CID176605017
Molecular FormulaC12H20O2
Molecular Weight196.29 g/mol
Exact Mass196.15
IUPAC Name4-(cyclopentylidenemethoxymethyl)oxane
SMILESC(OCC1CCOCC1)=C1CCCC1
InChIInChI=1S/C12H20O2/c1-2-4-11(3-1)9-14-10-12-5-7-13-8-6-12/h9,12H,1-8,10H2
InChIKeyNAUUEDRHISEHBU-UHFFFAOYSA-N
XLogP2.89
TPSA18.46 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds3
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'}

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Related Compounds

4-(1-Ethoxyethenyl)oxane
CID 117636259
4-[2-(Cyclopentylidenemethoxy)ethyl]oxane
CID 176603001
3-[2-(Cyclopentylidenemethoxy)ethyl]oxolane
CID 176603117
4-(2-Methylprop-1-enoxymethyl)oxane
CID 176603828
4-(Cyclopentylidenemethoxymethyl)-4-ethyloxane
CID 176604071
4-(Cyclopentylidenemethoxymethyl)-4-methyloxane
CID 176604122
4-(Cyclohexylidenemethoxymethyl)oxane
CID 176604614
4-[1-(Cyclopentylidenemethoxy)ethyl]oxane
CID 176604681
4-[3-(Cyclopentylidenemethoxy)propyl]oxane
CID 176604871
3-[2-(Cyclopentylidenemethoxy)ethyl]oxane
CID 176605131
3-(Cyclopentylidenemethoxymethyl)oxane
CID 176605168

Frequently Asked Questions

What is the IUPAC name of 4-(cyclopentylidenemethoxymethyl)oxane?
The IUPAC name of 4-(cyclopentylidenemethoxymethyl)oxane (CID 176605017) is 4-(cyclopentylidenemethoxymethyl)oxane.
What is the SMILES notation for 4-(cyclopentylidenemethoxymethyl)oxane?
The canonical SMILES for 4-(cyclopentylidenemethoxymethyl)oxane is C(OCC1CCOCC1)=C1CCCC1.
What is the InChIKey of 4-(cyclopentylidenemethoxymethyl)oxane?
The InChIKey is NAUUEDRHISEHBU-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H20O2/c1-2-4-11(3-1)9-14-10-12-5-7-13-8-6-12/h9,12H,1-8,10H2.
What are the key properties of 4-(cyclopentylidenemethoxymethyl)oxane?
4-(cyclopentylidenemethoxymethyl)oxane has a molecular weight of 196.29 g/mol, XLogP of 2.89, 3 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 4-(cyclopentylidenemethoxymethyl)oxane is sourced from PubChem (CID 176605017), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).