4-ethenoxybutoxymethylidenecyclopentane

C12H20O2 — CID 167048632

IUPAC4-ethenoxybutoxymethylidenecyclopentane
SMILESC=COCCCCOC=C1CCCC1
InChIInChI=1S/C12H20O2/c1-2-13-9-5-6-10-14-11-12-7-3-4-8-12/h2,11H,1,3-10H2
InChIKeyLHJPHFDEXQESCU-UHFFFAOYSA-N
MW196.29 g/mol
LogP3.40
Rot. Bonds7

About 4-ethenoxybutoxymethylidenecyclopentane

4-ethenoxybutoxymethylidenecyclopentane (PubChem CID 167048632) has the molecular formula C12H20O2 and a molecular weight of 196.29 g/mol. Its IUPAC name is 4-ethenoxybutoxymethylidenecyclopentane.

Molecular Properties

Compound Name4-ethenoxybutoxymethylidenecyclopentane
PubChem CID167048632
Molecular FormulaC12H20O2
Molecular Weight196.29 g/mol
Exact Mass196.15
IUPAC Name4-ethenoxybutoxymethylidenecyclopentane
SMILESC=COCCCCOC=C1CCCC1
InChIInChI=1S/C12H20O2/c1-2-13-9-5-6-10-14-11-12-7-3-4-8-12/h2,11H,1,3-10H2
InChIKeyLHJPHFDEXQESCU-UHFFFAOYSA-N
XLogP3.40
TPSA18.46 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds7
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500196.29
LogP ≤ 53.40
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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Frequently Asked Questions

What is the IUPAC name of 4-ethenoxybutoxymethylidenecyclopentane?
The IUPAC name of 4-ethenoxybutoxymethylidenecyclopentane (CID 167048632) is 4-ethenoxybutoxymethylidenecyclopentane.
What is the SMILES notation for 4-ethenoxybutoxymethylidenecyclopentane?
The canonical SMILES for 4-ethenoxybutoxymethylidenecyclopentane is C=COCCCCOC=C1CCCC1.
What is the InChIKey of 4-ethenoxybutoxymethylidenecyclopentane?
The InChIKey is LHJPHFDEXQESCU-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H20O2/c1-2-13-9-5-6-10-14-11-12-7-3-4-8-12/h2,11H,1,3-10H2.
What are the key properties of 4-ethenoxybutoxymethylidenecyclopentane?
4-ethenoxybutoxymethylidenecyclopentane has a molecular weight of 196.29 g/mol, XLogP of 3.40, 7 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 4-ethenoxybutoxymethylidenecyclopentane is sourced from PubChem (CID 167048632), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).