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

C8H8O — CID 101337605

IUPAC3-cyclopenta-2,4-dien-1-ylprop-2-yn-1-ol
SMILESOCC#CC1C=CC=C1
InChIInChI=1S/C8H8O/c9-7-3-6-8-4-1-2-5-8/h1-2,4-5,8-9H,7H2
InChIKeyLLUYPRIVRTWUQC-UHFFFAOYSA-N
MW120.15 g/mol
LogP0.72
Rot. Bonds

About 3-cyclopenta-2,4-dien-1-ylprop-2-yn-1-ol

3-cyclopenta-2,4-dien-1-ylprop-2-yn-1-ol (PubChem CID 101337605) has the molecular formula C8H8O and a molecular weight of 120.15 g/mol. Its IUPAC name is 3-cyclopenta-2,4-dien-1-ylprop-2-yn-1-ol.

Molecular Properties

Compound Name3-cyclopenta-2,4-dien-1-ylprop-2-yn-1-ol
PubChem CID101337605
Molecular FormulaC8H8O
Molecular Weight120.15 g/mol
Exact Mass120.06
IUPAC Name3-cyclopenta-2,4-dien-1-ylprop-2-yn-1-ol
SMILESOCC#CC1C=CC=C1
InChIInChI=1S/C8H8O/c9-7-3-6-8-4-1-2-5-8/h1-2,4-5,8-9H,7H2
InChIKeyLLUYPRIVRTWUQC-UHFFFAOYSA-N
XLogP0.72
TPSA20.23 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds
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'}

Analyze 3-cyclopenta-2,4-dien-1-ylprop-2-yn-1-ol with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

(5Z)-7-fluoro-4-methylideneocta-5,7-dien-2-yn-1-ol
CID 89722229
(5Z)-7-(fluoromethyl)-4-methylideneocta-5,7-dien-2-yn-1-ol
CID 170789294
(E)-7-methyloct-5-en-3-yn-1-ol
CID 21764639
Isopropylvinylethynylcarbinol
CID 74008378
(Z)-7-methyloct-5-en-3-yn-1-ol
CID 21764638
3-Cyclohexa-1,5-dien-1-ylprop-2-yn-1-ol
CID 15965698
(E)-6-methylhept-4-en-2-yn-1-ol
CID 22961448
Nona-4,6-dien-2-yn-1-ol
CID 21134116
2-(2-Ethynyl-2,4-cyclopentadien-1-ylidene)ethenol
CID 45079125
3-(Cyclohexa-1,3-dien-1-yl)prop-2-yn-1-ol
CID 71446282
1,5-Di(cyclopenta-2,4-dien-1-yl)penta-1,4-diyn-3-ol
CID 101419672
(1E,3E)-5-methylhepta-1,3-dien-6-yn-1-ol
CID 101763780

Frequently Asked Questions

What is the IUPAC name of 3-cyclopenta-2,4-dien-1-ylprop-2-yn-1-ol?
The IUPAC name of 3-cyclopenta-2,4-dien-1-ylprop-2-yn-1-ol (CID 101337605) is 3-cyclopenta-2,4-dien-1-ylprop-2-yn-1-ol.
What is the SMILES notation for 3-cyclopenta-2,4-dien-1-ylprop-2-yn-1-ol?
The canonical SMILES for 3-cyclopenta-2,4-dien-1-ylprop-2-yn-1-ol is OCC#CC1C=CC=C1.
What is the InChIKey of 3-cyclopenta-2,4-dien-1-ylprop-2-yn-1-ol?
The InChIKey is LLUYPRIVRTWUQC-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H8O/c9-7-3-6-8-4-1-2-5-8/h1-2,4-5,8-9H,7H2.
What are the key properties of 3-cyclopenta-2,4-dien-1-ylprop-2-yn-1-ol?
3-cyclopenta-2,4-dien-1-ylprop-2-yn-1-ol has a molecular weight of 120.15 g/mol, XLogP of 0.72, 0 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 3-cyclopenta-2,4-dien-1-ylprop-2-yn-1-ol is sourced from PubChem (CID 101337605), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).