2-[2-(cyclopentylidenemethoxy)ethyl]oxane

C13H22O2 — CID 176604507

IUPAC2-[2-(cyclopentylidenemethoxy)ethyl]oxane
SMILESC(OCCC1CCCCO1)=C1CCCC1
InChIInChI=1S/C13H22O2/c1-2-6-12(5-1)11-14-10-8-13-7-3-4-9-15-13/h11,13H,1-10H2
InChIKeyIHOIDUBVEMZQSH-UHFFFAOYSA-N
MW210.32 g/mol
LogP3.42
Rot. Bonds4

About 2-[2-(cyclopentylidenemethoxy)ethyl]oxane

2-[2-(cyclopentylidenemethoxy)ethyl]oxane (PubChem CID 176604507) has the molecular formula C13H22O2 and a molecular weight of 210.32 g/mol. Its IUPAC name is 2-[2-(cyclopentylidenemethoxy)ethyl]oxane.

Molecular Properties

Compound Name2-[2-(cyclopentylidenemethoxy)ethyl]oxane
PubChem CID176604507
Molecular FormulaC13H22O2
Molecular Weight210.32 g/mol
Exact Mass210.16
IUPAC Name2-[2-(cyclopentylidenemethoxy)ethyl]oxane
SMILESC(OCCC1CCCCO1)=C1CCCC1
InChIInChI=1S/C13H22O2/c1-2-6-12(5-1)11-14-10-8-13-7-3-4-9-15-13/h11,13H,1-10H2
InChIKeyIHOIDUBVEMZQSH-UHFFFAOYSA-N
XLogP3.42
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 ≤ 53.42
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

4-(Methoxymethylidene)-2,6-dimethyloxane
CID 58424345
(2R,6S)-4-(methoxymethylene)-2,6-dimethyltetrahydro-2H-pyran
CID 66936926
4-(Cyclopentylidenemethoxy)oxane
CID 176603057
2-[1-(Cyclopentylidenemethoxy)ethyl]oxane
CID 176603211
2-(Cyclopentylidenemethoxymethyl)oxane
CID 176603363
2-[2-(Cyclopentylidenemethoxy)ethyl]-2-methyloxane
CID 176603490
2-(Cyclopentylidenemethoxymethyl)oxepane
CID 176603536
2-[3-(Cyclohexylidenemethoxy)propyl]oxolane
CID 176603711
2-[2-(Cyclopentylidenemethoxy)ethyl]oxolane
CID 176604066
2-[2-(Cyclohexylidenemethoxy)ethyl]oxane
CID 176604143
2-[3-(Cyclopentylidenemethoxy)propyl]oxolane
CID 176604433
2-[3-(Cyclopentylidenemethoxy)propyl]oxane
CID 176604570

Frequently Asked Questions

What is the IUPAC name of 2-[2-(cyclopentylidenemethoxy)ethyl]oxane?
The IUPAC name of 2-[2-(cyclopentylidenemethoxy)ethyl]oxane (CID 176604507) is 2-[2-(cyclopentylidenemethoxy)ethyl]oxane.
What is the SMILES notation for 2-[2-(cyclopentylidenemethoxy)ethyl]oxane?
The canonical SMILES for 2-[2-(cyclopentylidenemethoxy)ethyl]oxane is C(OCCC1CCCCO1)=C1CCCC1.
What is the InChIKey of 2-[2-(cyclopentylidenemethoxy)ethyl]oxane?
The InChIKey is IHOIDUBVEMZQSH-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H22O2/c1-2-6-12(5-1)11-14-10-8-13-7-3-4-9-15-13/h11,13H,1-10H2.
What are the key properties of 2-[2-(cyclopentylidenemethoxy)ethyl]oxane?
2-[2-(cyclopentylidenemethoxy)ethyl]oxane has a molecular weight of 210.32 g/mol, XLogP of 3.42, 4 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[2-(cyclopentylidenemethoxy)ethyl]oxane is sourced from PubChem (CID 176604507), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).