2-[(E)-but-1-en-3-ynyl]cyclohexan-1-ol

C10H14O — CID 18414980

IUPAC2-[(E)-but-1-en-3-ynyl]cyclohexan-1-ol
SMILESC#C/C=C/C1CCCCC1O
InChIInChI=1S/C10H14O/c1-2-3-6-9-7-4-5-8-10(9)11/h1,3,6,9-11H,4-5,7-8H2/b6-3+
InChIKeyIAMDICYDQISQRI-ZZXKWVIFSA-N
MW150.22 g/mol
LogP1.73
Rot. Bonds1

About 2-[(E)-but-1-en-3-ynyl]cyclohexan-1-ol

2-[(E)-but-1-en-3-ynyl]cyclohexan-1-ol (PubChem CID 18414980) has the molecular formula C10H14O and a molecular weight of 150.22 g/mol. Its IUPAC name is 2-[(E)-but-1-en-3-ynyl]cyclohexan-1-ol.

Molecular Properties

Compound Name2-[(E)-but-1-en-3-ynyl]cyclohexan-1-ol
PubChem CID18414980
Molecular FormulaC10H14O
Molecular Weight150.22 g/mol
Exact Mass150.10
IUPAC Name2-[(E)-but-1-en-3-ynyl]cyclohexan-1-ol
SMILESC#C/C=C/C1CCCCC1O
InChIInChI=1S/C10H14O/c1-2-3-6-9-7-4-5-8-10(9)11/h1,3,6,9-11H,4-5,7-8H2/b6-3+
InChIKeyIAMDICYDQISQRI-ZZXKWVIFSA-N
XLogP1.73
TPSA20.23 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds1
Heavy Atoms11
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500150.22
LogP ≤ 51.73
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 101

Computed Properties (RDKit)

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

Analyze 2-[(E)-but-1-en-3-ynyl]cyclohexan-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

[(E)-but-1-en-3-ynyl]cyclohexane
CID 14529129
cis-(1R,2S)-2-[(1E)-3-methylbuta-1,3-dienyl]cyclohexan-1-ol
CID 101161499
(1R,3S,8aS)-3-[(Z)-but-1-en-3-ynyl]-1,2,3,5,6,7,8,8a-octahydroindolizin-1-ol
CID 138966395
2-ethenylcycloheptan-1-ol
CID 101076742
(2S,6R,10S,11S)-11-[(E)-but-1-en-3-ynyl]-2-[(E)-pent-2-en-4-ynyl]-1-azaspiro[5.5]undecan-10-ol
CID 5282247
(2S,6R,10S,11S)-11-[(Z)-but-1-en-3-ynyl]-2-prop-2-enyl-1-azaspiro[5.5]undecan-10-ol
CID 6450349
trans-(1S,2S)-cyclohexane-1,2-diol;trans-(1R,2R)-cyclohexane-1,2-diol
CID 121492980
cis-(1R,2S)-2-methanimidoylcyclohexan-1-ol
CID 129259313
cis-(1S,2R)-2-[(Z)-hept-1-enyl]cyclohexan-1-ol
CID 72704279
cis-(1S,2R)-2-ethynylcyclohexan-1-ol
CID 11469076
cis-(1S,2R)-2-[(E)-3-tri(propan-2-yl)silylprop-1-enyl]cyclohexan-1-ol
CID 101490649
trans-(1S,2S)-2-[(Z)-3-tri(propan-2-yl)silylprop-1-enyl]cyclohexan-1-ol
CID 154723288

Frequently Asked Questions

What is the IUPAC name of 2-[(E)-but-1-en-3-ynyl]cyclohexan-1-ol?
The IUPAC name of 2-[(E)-but-1-en-3-ynyl]cyclohexan-1-ol (CID 18414980) is 2-[(E)-but-1-en-3-ynyl]cyclohexan-1-ol.
What is the SMILES notation for 2-[(E)-but-1-en-3-ynyl]cyclohexan-1-ol?
The canonical SMILES for 2-[(E)-but-1-en-3-ynyl]cyclohexan-1-ol is C#C/C=C/C1CCCCC1O.
What is the InChIKey of 2-[(E)-but-1-en-3-ynyl]cyclohexan-1-ol?
The InChIKey is IAMDICYDQISQRI-ZZXKWVIFSA-N. The full InChI is InChI=1S/C10H14O/c1-2-3-6-9-7-4-5-8-10(9)11/h1,3,6,9-11H,4-5,7-8H2/b6-3+.
What are the key properties of 2-[(E)-but-1-en-3-ynyl]cyclohexan-1-ol?
2-[(E)-but-1-en-3-ynyl]cyclohexan-1-ol has a molecular weight of 150.22 g/mol, XLogP of 1.73, 1 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[(E)-but-1-en-3-ynyl]cyclohexan-1-ol is sourced from PubChem (CID 18414980), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).