4-(3,3-diethoxyprop-1-en-2-yl)cyclopent-2-en-1-ol

C12H20O3 — CID 134981038

IUPAC4-(3,3-diethoxyprop-1-en-2-yl)cyclopent-2-en-1-ol
SMILESC=C(C1C=CC(O)C1)C(OCC)OCC
InChIInChI=1S/C12H20O3/c1-4-14-12(15-5-2)9(3)10-6-7-11(13)8-10/h6-7,10-13H,3-5,8H2,1-2H3
InChIKeyVOQFCGPCQRUYRY-UHFFFAOYSA-N
MW212.29 g/mol
LogP1.88
Rot. Bonds6

About 4-(3,3-diethoxyprop-1-en-2-yl)cyclopent-2-en-1-ol

4-(3,3-diethoxyprop-1-en-2-yl)cyclopent-2-en-1-ol (PubChem CID 134981038) has the molecular formula C12H20O3 and a molecular weight of 212.29 g/mol. Its IUPAC name is 4-(3,3-diethoxyprop-1-en-2-yl)cyclopent-2-en-1-ol.

Molecular Properties

Compound Name4-(3,3-diethoxyprop-1-en-2-yl)cyclopent-2-en-1-ol
PubChem CID134981038
Molecular FormulaC12H20O3
Molecular Weight212.29 g/mol
Exact Mass212.14
IUPAC Name4-(3,3-diethoxyprop-1-en-2-yl)cyclopent-2-en-1-ol
SMILESC=C(C1C=CC(O)C1)C(OCC)OCC
InChIInChI=1S/C12H20O3/c1-4-14-12(15-5-2)9(3)10-6-7-11(13)8-10/h6-7,10-13H,3-5,8H2,1-2H3
InChIKeyVOQFCGPCQRUYRY-UHFFFAOYSA-N
XLogP1.88
TPSA38.69 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500212.29
LogP ≤ 51.88
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of 4-(3,3-diethoxyprop-1-en-2-yl)cyclopent-2-en-1-ol?
The IUPAC name of 4-(3,3-diethoxyprop-1-en-2-yl)cyclopent-2-en-1-ol (CID 134981038) is 4-(3,3-diethoxyprop-1-en-2-yl)cyclopent-2-en-1-ol.
What is the SMILES notation for 4-(3,3-diethoxyprop-1-en-2-yl)cyclopent-2-en-1-ol?
The canonical SMILES for 4-(3,3-diethoxyprop-1-en-2-yl)cyclopent-2-en-1-ol is C=C(C1C=CC(O)C1)C(OCC)OCC.
What is the InChIKey of 4-(3,3-diethoxyprop-1-en-2-yl)cyclopent-2-en-1-ol?
The InChIKey is VOQFCGPCQRUYRY-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H20O3/c1-4-14-12(15-5-2)9(3)10-6-7-11(13)8-10/h6-7,10-13H,3-5,8H2,1-2H3.
What are the key properties of 4-(3,3-diethoxyprop-1-en-2-yl)cyclopent-2-en-1-ol?
4-(3,3-diethoxyprop-1-en-2-yl)cyclopent-2-en-1-ol has a molecular weight of 212.29 g/mol, XLogP of 1.88, 6 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 4-(3,3-diethoxyprop-1-en-2-yl)cyclopent-2-en-1-ol is sourced from PubChem (CID 134981038), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).