2-[1-(cyclopentylidenemethoxy)ethyl]oxocane

C15H26O2 — CID 176603756

IUPAC2-[1-(cyclopentylidenemethoxy)ethyl]oxocane
SMILESCC(OC=C1CCCC1)C1CCCCCCO1
InChIInChI=1S/C15H26O2/c1-13(17-12-14-8-5-6-9-14)15-10-4-2-3-7-11-16-15/h12-13,15H,2-11H2,1H3
InChIKeyMPHUUNAZNGWWNV-UHFFFAOYSA-N
MW238.37 g/mol
LogP4.20
Rot. Bonds3

About 2-[1-(cyclopentylidenemethoxy)ethyl]oxocane

2-[1-(cyclopentylidenemethoxy)ethyl]oxocane (PubChem CID 176603756) has the molecular formula C15H26O2 and a molecular weight of 238.37 g/mol. Its IUPAC name is 2-[1-(cyclopentylidenemethoxy)ethyl]oxocane.

Molecular Properties

Compound Name2-[1-(cyclopentylidenemethoxy)ethyl]oxocane
PubChem CID176603756
Molecular FormulaC15H26O2
Molecular Weight238.37 g/mol
Exact Mass238.19
IUPAC Name2-[1-(cyclopentylidenemethoxy)ethyl]oxocane
SMILESCC(OC=C1CCCC1)C1CCCCCCO1
InChIInChI=1S/C15H26O2/c1-13(17-12-14-8-5-6-9-14)15-10-4-2-3-7-11-16-15/h12-13,15H,2-11H2,1H3
InChIKeyMPHUUNAZNGWWNV-UHFFFAOYSA-N
XLogP4.20
TPSA18.46 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500238.37
LogP ≤ 54.20
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
2-(2-Methylprop-1-enoxymethyl)oxocane
CID 176603282
3-(2-Methylprop-1-enoxy)oxocane
CID 176603349
2-(Cyclohexylidenemethoxymethyl)oxocane
CID 176603472
2-(Cyclopentylidenemethoxymethyl)oxepane
CID 176603536
2-[1-(Cyclohexylidenemethoxy)ethyl]oxocane
CID 176603972
2-(Cyclopentylidenemethoxymethyl)oxocane
CID 176604000
2-(Cyclopentylidenemethoxymethyl)-2-ethyloxocane
CID 176604065
2-(Cyclopentylidenemethoxymethyl)-2-methyloxocane
CID 176604337
2-[3-(Cyclopentylidenemethoxy)propyl]oxocane
CID 176605202
3-(Cyclopentylidenemethoxy)oxocane
CID 176605259

Frequently Asked Questions

What is the IUPAC name of 2-[1-(cyclopentylidenemethoxy)ethyl]oxocane?
The IUPAC name of 2-[1-(cyclopentylidenemethoxy)ethyl]oxocane (CID 176603756) is 2-[1-(cyclopentylidenemethoxy)ethyl]oxocane.
What is the SMILES notation for 2-[1-(cyclopentylidenemethoxy)ethyl]oxocane?
The canonical SMILES for 2-[1-(cyclopentylidenemethoxy)ethyl]oxocane is CC(OC=C1CCCC1)C1CCCCCCO1.
What is the InChIKey of 2-[1-(cyclopentylidenemethoxy)ethyl]oxocane?
The InChIKey is MPHUUNAZNGWWNV-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H26O2/c1-13(17-12-14-8-5-6-9-14)15-10-4-2-3-7-11-16-15/h12-13,15H,2-11H2,1H3.
What are the key properties of 2-[1-(cyclopentylidenemethoxy)ethyl]oxocane?
2-[1-(cyclopentylidenemethoxy)ethyl]oxocane has a molecular weight of 238.37 g/mol, XLogP of 4.20, 3 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[1-(cyclopentylidenemethoxy)ethyl]oxocane is sourced from PubChem (CID 176603756), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).