1-(cyclohexen-1-yl)but-3-yn-1-ol

C10H14O — CID 130122087

IUPAC1-(cyclohexen-1-yl)but-3-yn-1-ol
SMILESC#CCC(O)C1=CCCCC1
InChIInChI=1S/C10H14O/c1-2-6-10(11)9-7-4-3-5-8-9/h1,7,10-11H,3-6,8H2
InChIKeyLUMMRWWAQYRJBL-UHFFFAOYSA-N
MW150.22 g/mol
LogP1.87
Rot. Bonds2

About 1-(cyclohexen-1-yl)but-3-yn-1-ol

1-(cyclohexen-1-yl)but-3-yn-1-ol (PubChem CID 130122087) has the molecular formula C10H14O and a molecular weight of 150.22 g/mol. Its IUPAC name is 1-(cyclohexen-1-yl)but-3-yn-1-ol.

Molecular Properties

Compound Name1-(cyclohexen-1-yl)but-3-yn-1-ol
PubChem CID130122087
Molecular FormulaC10H14O
Molecular Weight150.22 g/mol
Exact Mass150.10
IUPAC Name1-(cyclohexen-1-yl)but-3-yn-1-ol
SMILESC#CCC(O)C1=CCCCC1
InChIInChI=1S/C10H14O/c1-2-6-10(11)9-7-4-3-5-8-9/h1,7,10-11H,3-6,8H2
InChIKeyLUMMRWWAQYRJBL-UHFFFAOYSA-N
XLogP1.87
TPSA20.23 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds2
Heavy Atoms11
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500150.22
LogP ≤ 51.87
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 101

Computed Properties (RDKit)

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

Analyze 1-(cyclohexen-1-yl)but-3-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

Triangulyne C
CID 5469812
9-Pentadecene-12,14-diyne-1,11-diol
CID 13913099
(Z)-6-Tetradecene-1,3-diyne-5,8-diol
CID 129662470
Dideoxypetrosynol E
CID 44558967
Dideoxypetrosynol F
CID 44558968
1-(1-Cyclohexen-1-yl)ethanol
CID 537539
1-Cyclohexenyl-3-buten-1-ol
CID 13346445
(4E,15Z)-triaconta-4,15-dien-1,12,18,29-tetrayne-3,28-diol
CID 5470604
(1S)-3-ethylcyclohex-2-en-1-ol
CID 10855462
(s)-1-Cyclohex-1-enyl-ethanol
CID 11018877
3-Methyl-2-cyclohepten-1-ol
CID 13636338
Nonylphenol-d8
CID 129853604

Frequently Asked Questions

What is the IUPAC name of 1-(cyclohexen-1-yl)but-3-yn-1-ol?
The IUPAC name of 1-(cyclohexen-1-yl)but-3-yn-1-ol (CID 130122087) is 1-(cyclohexen-1-yl)but-3-yn-1-ol.
What is the SMILES notation for 1-(cyclohexen-1-yl)but-3-yn-1-ol?
The canonical SMILES for 1-(cyclohexen-1-yl)but-3-yn-1-ol is C#CCC(O)C1=CCCCC1.
What is the InChIKey of 1-(cyclohexen-1-yl)but-3-yn-1-ol?
The InChIKey is LUMMRWWAQYRJBL-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H14O/c1-2-6-10(11)9-7-4-3-5-8-9/h1,7,10-11H,3-6,8H2.
What are the key properties of 1-(cyclohexen-1-yl)but-3-yn-1-ol?
1-(cyclohexen-1-yl)but-3-yn-1-ol has a molecular weight of 150.22 g/mol, XLogP of 1.87, 2 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(cyclohexen-1-yl)but-3-yn-1-ol is sourced from PubChem (CID 130122087), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).