3-(cyclopentylidenemethoxymethyl)-3-ethyloxolane

C13H22O2 — CID 176605339

IUPAC3-(cyclopentylidenemethoxymethyl)-3-ethyloxolane
SMILESCCC1(COC=C2CCCC2)CCOC1
InChIInChI=1S/C13H22O2/c1-2-13(7-8-14-10-13)11-15-9-12-5-3-4-6-12/h9H,2-8,10-11H2,1H3
InChIKeyYNAXYBRTOQCQGB-UHFFFAOYSA-N
MW210.32 g/mol
LogP3.28
Rot. Bonds4

About 3-(cyclopentylidenemethoxymethyl)-3-ethyloxolane

3-(cyclopentylidenemethoxymethyl)-3-ethyloxolane (PubChem CID 176605339) has the molecular formula C13H22O2 and a molecular weight of 210.32 g/mol. Its IUPAC name is 3-(cyclopentylidenemethoxymethyl)-3-ethyloxolane.

Molecular Properties

Compound Name3-(cyclopentylidenemethoxymethyl)-3-ethyloxolane
PubChem CID176605339
Molecular FormulaC13H22O2
Molecular Weight210.32 g/mol
Exact Mass210.16
IUPAC Name3-(cyclopentylidenemethoxymethyl)-3-ethyloxolane
SMILESCCC1(COC=C2CCCC2)CCOC1
InChIInChI=1S/C13H22O2/c1-2-13(7-8-14-10-13)11-15-9-12-5-3-4-6-12/h9H,2-8,10-11H2,1H3
InChIKeyYNAXYBRTOQCQGB-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'}

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Related Compounds

3-[1-(Cyclopentylidenemethoxy)ethyl]oxolane
CID 176603244
3-(Cyclopentylidenemethoxymethyl)oxolane
CID 176603264
3-[3-(Cyclopentylidenemethoxy)propyl]-3-ethyloxolane
CID 176603521
3-Ethyl-3-(2-methylprop-1-enoxymethyl)oxolane
CID 176603588
3-(Cyclopentylidenemethoxymethyl)-3-methyloxolane
CID 176603875
4-(Cyclopentylidenemethoxymethyl)-4-ethyloxane
CID 176604071
4-(Cyclopentylidenemethoxymethyl)-4-methyloxane
CID 176604122
3-(Cyclohexylidenemethoxymethyl)-3-ethyloxolane
CID 176604749
3-[2-(Cyclopentylidenemethoxy)ethyl]-3-methyloxolane
CID 176605068

Frequently Asked Questions

What is the IUPAC name of 3-(cyclopentylidenemethoxymethyl)-3-ethyloxolane?
The IUPAC name of 3-(cyclopentylidenemethoxymethyl)-3-ethyloxolane (CID 176605339) is 3-(cyclopentylidenemethoxymethyl)-3-ethyloxolane.
What is the SMILES notation for 3-(cyclopentylidenemethoxymethyl)-3-ethyloxolane?
The canonical SMILES for 3-(cyclopentylidenemethoxymethyl)-3-ethyloxolane is CCC1(COC=C2CCCC2)CCOC1.
What is the InChIKey of 3-(cyclopentylidenemethoxymethyl)-3-ethyloxolane?
The InChIKey is YNAXYBRTOQCQGB-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H22O2/c1-2-13(7-8-14-10-13)11-15-9-12-5-3-4-6-12/h9H,2-8,10-11H2,1H3.
What are the key properties of 3-(cyclopentylidenemethoxymethyl)-3-ethyloxolane?
3-(cyclopentylidenemethoxymethyl)-3-ethyloxolane 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 3-(cyclopentylidenemethoxymethyl)-3-ethyloxolane is sourced from PubChem (CID 176605339), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).