3-[3-(cyclopentylidenemethoxy)propyl]oxolane

C13H22O2 — CID 176604301

IUPAC3-[3-(cyclopentylidenemethoxy)propyl]oxolane
SMILESC(OCCCC1CCOC1)=C1CCCC1
InChIInChI=1S/C13H22O2/c1-2-5-12(4-1)10-14-8-3-6-13-7-9-15-11-13/h10,13H,1-9,11H2
InChIKeyLHTWDJTTYKTFFH-UHFFFAOYSA-N
MW210.32 g/mol
LogP3.28
Rot. Bonds5

About 3-[3-(cyclopentylidenemethoxy)propyl]oxolane

3-[3-(cyclopentylidenemethoxy)propyl]oxolane (PubChem CID 176604301) has the molecular formula C13H22O2 and a molecular weight of 210.32 g/mol. Its IUPAC name is 3-[3-(cyclopentylidenemethoxy)propyl]oxolane.

Molecular Properties

Compound Name3-[3-(cyclopentylidenemethoxy)propyl]oxolane
PubChem CID176604301
Molecular FormulaC13H22O2
Molecular Weight210.32 g/mol
Exact Mass210.16
IUPAC Name3-[3-(cyclopentylidenemethoxy)propyl]oxolane
SMILESC(OCCCC1CCOC1)=C1CCCC1
InChIInChI=1S/C13H22O2/c1-2-5-12(4-1)10-14-8-3-6-13-7-9-15-11-13/h10,13H,1-9,11H2
InChIKeyLHTWDJTTYKTFFH-UHFFFAOYSA-N
XLogP3.28
TPSA18.46 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds5
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'}, {'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}

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Related Compounds

3-[2-(Cyclopentylidenemethoxy)ethyl]oxolane
CID 176603117
3-[3-(Cyclopentylidenemethoxy)propyl]-3-ethyloxolane
CID 176603521
3-[3-(Cyclopentylidenemethoxy)propyl]oxane
CID 176603781
2-[2-(Cyclopentylidenemethoxy)ethyl]-2-methyloxolane
CID 176603910
2-(Cyclopentylidenemethoxymethyl)-2-ethyloxolane
CID 176603992
3-[3-(2-Methylprop-1-enoxy)propyl]oxolane
CID 176604361
3-[2-(Cyclohexylidenemethoxy)ethyl]oxolane
CID 176604719
3-[3-(Cyclohexylidenemethoxy)propyl]oxolane
CID 176604799
4-[3-(Cyclopentylidenemethoxy)propyl]oxane
CID 176604871
3-[2-(Cyclopentylidenemethoxy)ethyl]oxane
CID 176605131

Frequently Asked Questions

What is the IUPAC name of 3-[3-(cyclopentylidenemethoxy)propyl]oxolane?
The IUPAC name of 3-[3-(cyclopentylidenemethoxy)propyl]oxolane (CID 176604301) is 3-[3-(cyclopentylidenemethoxy)propyl]oxolane.
What is the SMILES notation for 3-[3-(cyclopentylidenemethoxy)propyl]oxolane?
The canonical SMILES for 3-[3-(cyclopentylidenemethoxy)propyl]oxolane is C(OCCCC1CCOC1)=C1CCCC1.
What is the InChIKey of 3-[3-(cyclopentylidenemethoxy)propyl]oxolane?
The InChIKey is LHTWDJTTYKTFFH-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H22O2/c1-2-5-12(4-1)10-14-8-3-6-13-7-9-15-11-13/h10,13H,1-9,11H2.
What are the key properties of 3-[3-(cyclopentylidenemethoxy)propyl]oxolane?
3-[3-(cyclopentylidenemethoxy)propyl]oxolane has a molecular weight of 210.32 g/mol, XLogP of 3.28, 5 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 3-[3-(cyclopentylidenemethoxy)propyl]oxolane is sourced from PubChem (CID 176604301), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).