3-[2-(cyclopentylidenemethoxy)ethyl]oxocane

C15H26O2 — CID 176604857

IUPAC3-[2-(cyclopentylidenemethoxy)ethyl]oxocane
SMILESC(OCCC1CCCCCOC1)=C1CCCC1
InChIInChI=1S/C15H26O2/c1-2-6-15(13-16-10-5-1)9-11-17-12-14-7-3-4-8-14/h12,15H,1-11,13H2
InChIKeyRFIKRJFLDKARST-UHFFFAOYSA-N
MW238.37 g/mol
LogP4.06
Rot. Bonds4

About 3-[2-(cyclopentylidenemethoxy)ethyl]oxocane

3-[2-(cyclopentylidenemethoxy)ethyl]oxocane (PubChem CID 176604857) has the molecular formula C15H26O2 and a molecular weight of 238.37 g/mol. Its IUPAC name is 3-[2-(cyclopentylidenemethoxy)ethyl]oxocane.

Molecular Properties

Compound Name3-[2-(cyclopentylidenemethoxy)ethyl]oxocane
PubChem CID176604857
Molecular FormulaC15H26O2
Molecular Weight238.37 g/mol
Exact Mass238.19
IUPAC Name3-[2-(cyclopentylidenemethoxy)ethyl]oxocane
SMILESC(OCCC1CCCCCOC1)=C1CCCC1
InChIInChI=1S/C15H26O2/c1-2-6-15(13-16-10-5-1)9-11-17-12-14-7-3-4-8-14/h12,15H,1-11,13H2
InChIKeyRFIKRJFLDKARST-UHFFFAOYSA-N
XLogP4.06
TPSA18.46 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500238.37
LogP ≤ 54.06
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-(2-Methylprop-1-enoxy)ethyl]oxocane
CID 176604005
3-[2-(Cyclopentylidenemethoxy)ethyl]-3-methyloxocane
CID 176604054
3-[2-(Cyclohexylidenemethoxy)ethyl]oxocane
CID 176604471
3-[2-(Cyclopentylidenemethoxy)ethyl]oxepane
CID 176604561
2-[3-(Cyclopentylidenemethoxy)propyl]-2-ethyloxocane
CID 176605013

Frequently Asked Questions

What is the IUPAC name of 3-[2-(cyclopentylidenemethoxy)ethyl]oxocane?
The IUPAC name of 3-[2-(cyclopentylidenemethoxy)ethyl]oxocane (CID 176604857) is 3-[2-(cyclopentylidenemethoxy)ethyl]oxocane.
What is the SMILES notation for 3-[2-(cyclopentylidenemethoxy)ethyl]oxocane?
The canonical SMILES for 3-[2-(cyclopentylidenemethoxy)ethyl]oxocane is C(OCCC1CCCCCOC1)=C1CCCC1.
What is the InChIKey of 3-[2-(cyclopentylidenemethoxy)ethyl]oxocane?
The InChIKey is RFIKRJFLDKARST-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H26O2/c1-2-6-15(13-16-10-5-1)9-11-17-12-14-7-3-4-8-14/h12,15H,1-11,13H2.
What are the key properties of 3-[2-(cyclopentylidenemethoxy)ethyl]oxocane?
3-[2-(cyclopentylidenemethoxy)ethyl]oxocane has a molecular weight of 238.37 g/mol, XLogP of 4.06, 4 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 3-[2-(cyclopentylidenemethoxy)ethyl]oxocane is sourced from PubChem (CID 176604857), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).