1-cyclopenta-2,4-dien-1-ylprop-2-yn-1-ol

C8H8O — CID 11986414

IUPAC1-cyclopenta-2,4-dien-1-ylprop-2-yn-1-ol
SMILESC#CC(O)C1C=CC=C1
InChIInChI=1S/C8H8O/c1-2-8(9)7-5-3-4-6-7/h1,3-9H
InChIKeyPJEWBVGMTZYKGD-UHFFFAOYSA-N
MW120.15 g/mol
LogP0.72
Rot. Bonds1

About 1-cyclopenta-2,4-dien-1-ylprop-2-yn-1-ol

1-cyclopenta-2,4-dien-1-ylprop-2-yn-1-ol (PubChem CID 11986414) has the molecular formula C8H8O and a molecular weight of 120.15 g/mol. Its IUPAC name is 1-cyclopenta-2,4-dien-1-ylprop-2-yn-1-ol.

Molecular Properties

Compound Name1-cyclopenta-2,4-dien-1-ylprop-2-yn-1-ol
PubChem CID11986414
Molecular FormulaC8H8O
Molecular Weight120.15 g/mol
Exact Mass120.06
IUPAC Name1-cyclopenta-2,4-dien-1-ylprop-2-yn-1-ol
SMILESC#CC(O)C1C=CC=C1
InChIInChI=1S/C8H8O/c1-2-8(9)7-5-3-4-6-7/h1,3-9H
InChIKeyPJEWBVGMTZYKGD-UHFFFAOYSA-N
XLogP0.72
TPSA20.23 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds1
Heavy Atoms9
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500120.15
LogP ≤ 50.72
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 101

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'triple_bond', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of 1-cyclopenta-2,4-dien-1-ylprop-2-yn-1-ol?
The IUPAC name of 1-cyclopenta-2,4-dien-1-ylprop-2-yn-1-ol (CID 11986414) is 1-cyclopenta-2,4-dien-1-ylprop-2-yn-1-ol.
What is the SMILES notation for 1-cyclopenta-2,4-dien-1-ylprop-2-yn-1-ol?
The canonical SMILES for 1-cyclopenta-2,4-dien-1-ylprop-2-yn-1-ol is C#CC(O)C1C=CC=C1.
What is the InChIKey of 1-cyclopenta-2,4-dien-1-ylprop-2-yn-1-ol?
The InChIKey is PJEWBVGMTZYKGD-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H8O/c1-2-8(9)7-5-3-4-6-7/h1,3-9H.
What are the key properties of 1-cyclopenta-2,4-dien-1-ylprop-2-yn-1-ol?
1-cyclopenta-2,4-dien-1-ylprop-2-yn-1-ol has a molecular weight of 120.15 g/mol, XLogP of 0.72, 1 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 1-cyclopenta-2,4-dien-1-ylprop-2-yn-1-ol is sourced from PubChem (CID 11986414), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).