3-(cyclopentylidenemethoxy)oxocane

C13H22O2 — CID 176605259

IUPAC3-(cyclopentylidenemethoxy)oxocane
SMILESC(OC1CCCCCOC1)=C1CCCC1
InChIInChI=1S/C13H22O2/c1-2-8-13(11-14-9-5-1)15-10-12-6-3-4-7-12/h10,13H,1-9,11H2
InChIKeyGCGCCKSUXVGFGI-UHFFFAOYSA-N
MW210.32 g/mol
LogP3.42
Rot. Bonds2

About 3-(cyclopentylidenemethoxy)oxocane

3-(cyclopentylidenemethoxy)oxocane (PubChem CID 176605259) has the molecular formula C13H22O2 and a molecular weight of 210.32 g/mol. Its IUPAC name is 3-(cyclopentylidenemethoxy)oxocane.

Molecular Properties

Compound Name3-(cyclopentylidenemethoxy)oxocane
PubChem CID176605259
Molecular FormulaC13H22O2
Molecular Weight210.32 g/mol
Exact Mass210.16
IUPAC Name3-(cyclopentylidenemethoxy)oxocane
SMILESC(OC1CCCCCOC1)=C1CCCC1
InChIInChI=1S/C13H22O2/c1-2-8-13(11-14-9-5-1)15-10-12-6-3-4-7-12/h10,13H,1-9,11H2
InChIKeyGCGCCKSUXVGFGI-UHFFFAOYSA-N
XLogP3.42
TPSA18.46 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500210.32
LogP ≤ 53.42
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-(Cyclohexylidenemethoxy)oxocane
CID 176603020
2-[1-(Cyclopentylidenemethoxy)ethyl]oxane
CID 176603211
3-(2-Methylprop-1-enoxy)oxocane
CID 176603349
2-(Cyclopentylidenemethoxymethyl)oxane
CID 176603363
2-(Cyclohexylidenemethoxymethyl)oxocane
CID 176603472
2-(Cyclopentylidenemethoxymethyl)oxepane
CID 176603536
2-[1-(Cyclopentylidenemethoxy)ethyl]oxocane
CID 176603756
2-[1-(Cyclohexylidenemethoxy)ethyl]oxocane
CID 176603972
2-(Cyclopentylidenemethoxymethyl)oxocane
CID 176604000
2-(Cyclopentylidenemethoxymethyl)-2-methyloxocane
CID 176604337
2-[3-(Cyclopentylidenemethoxy)propyl]oxolane
CID 176604433
2-[2-(Cyclopentylidenemethoxy)ethyl]oxane
CID 176604507

Frequently Asked Questions

What is the IUPAC name of 3-(cyclopentylidenemethoxy)oxocane?
The IUPAC name of 3-(cyclopentylidenemethoxy)oxocane (CID 176605259) is 3-(cyclopentylidenemethoxy)oxocane.
What is the SMILES notation for 3-(cyclopentylidenemethoxy)oxocane?
The canonical SMILES for 3-(cyclopentylidenemethoxy)oxocane is C(OC1CCCCCOC1)=C1CCCC1.
What is the InChIKey of 3-(cyclopentylidenemethoxy)oxocane?
The InChIKey is GCGCCKSUXVGFGI-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H22O2/c1-2-8-13(11-14-9-5-1)15-10-12-6-3-4-7-12/h10,13H,1-9,11H2.
What are the key properties of 3-(cyclopentylidenemethoxy)oxocane?
3-(cyclopentylidenemethoxy)oxocane has a molecular weight of 210.32 g/mol, XLogP of 3.42, 2 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 3-(cyclopentylidenemethoxy)oxocane is sourced from PubChem (CID 176605259), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).