1-(3,3-diethoxyprop-1-ynyl)cyclopentene

C12H18O2 — CID 134985873

IUPAC1-(3,3-diethoxyprop-1-ynyl)cyclopentene
SMILESCCOC(C#CC1=CCCC1)OCC
InChIInChI=1S/C12H18O2/c1-3-13-12(14-4-2)10-9-11-7-5-6-8-11/h7,12H,3-6,8H2,1-2H3
InChIKeyWKKNBANHLHCGGP-UHFFFAOYSA-N
MW194.27 g/mol
LogP2.50
Rot. Bonds4

About 1-(3,3-diethoxyprop-1-ynyl)cyclopentene

1-(3,3-diethoxyprop-1-ynyl)cyclopentene (PubChem CID 134985873) has the molecular formula C12H18O2 and a molecular weight of 194.27 g/mol. Its IUPAC name is 1-(3,3-diethoxyprop-1-ynyl)cyclopentene.

Molecular Properties

Compound Name1-(3,3-diethoxyprop-1-ynyl)cyclopentene
PubChem CID134985873
Molecular FormulaC12H18O2
Molecular Weight194.27 g/mol
Exact Mass194.13
IUPAC Name1-(3,3-diethoxyprop-1-ynyl)cyclopentene
SMILESCCOC(C#CC1=CCCC1)OCC
InChIInChI=1S/C12H18O2/c1-3-13-12(14-4-2)10-9-11-7-5-6-8-11/h7,12H,3-6,8H2,1-2H3
InChIKeyWKKNBANHLHCGGP-UHFFFAOYSA-N
XLogP2.50
TPSA18.46 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500194.27
LogP ≤ 52.50
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'het-C-het_not_in_ring', 'substructure': 'N/A'}, {'alert_name': 'triple_bond', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of 1-(3,3-diethoxyprop-1-ynyl)cyclopentene?
The IUPAC name of 1-(3,3-diethoxyprop-1-ynyl)cyclopentene (CID 134985873) is 1-(3,3-diethoxyprop-1-ynyl)cyclopentene.
What is the SMILES notation for 1-(3,3-diethoxyprop-1-ynyl)cyclopentene?
The canonical SMILES for 1-(3,3-diethoxyprop-1-ynyl)cyclopentene is CCOC(C#CC1=CCCC1)OCC.
What is the InChIKey of 1-(3,3-diethoxyprop-1-ynyl)cyclopentene?
The InChIKey is WKKNBANHLHCGGP-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H18O2/c1-3-13-12(14-4-2)10-9-11-7-5-6-8-11/h7,12H,3-6,8H2,1-2H3.
What are the key properties of 1-(3,3-diethoxyprop-1-ynyl)cyclopentene?
1-(3,3-diethoxyprop-1-ynyl)cyclopentene has a molecular weight of 194.27 g/mol, XLogP of 2.50, 4 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(3,3-diethoxyprop-1-ynyl)cyclopentene is sourced from PubChem (CID 134985873), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).