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

C10H14O — CID 11829621

IUPAC4-(cyclohexen-1-yl)but-3-yn-1-ol
SMILESOCCC#CC1=CCCCC1
InChIInChI=1S/C10H14O/c11-9-5-4-8-10-6-2-1-3-7-10/h6,11H,1-3,5,7,9H2
InChIKeyXJSWZWBFBFRCNK-UHFFFAOYSA-N
MW150.22 g/mol
LogP1.87
Rot. Bonds1

About 4-(cyclohexen-1-yl)but-3-yn-1-ol

4-(cyclohexen-1-yl)but-3-yn-1-ol (PubChem CID 11829621) has the molecular formula C10H14O and a molecular weight of 150.22 g/mol. Its IUPAC name is 4-(cyclohexen-1-yl)but-3-yn-1-ol.

Molecular Properties

Compound Name4-(cyclohexen-1-yl)but-3-yn-1-ol
PubChem CID11829621
Molecular FormulaC10H14O
Molecular Weight150.22 g/mol
Exact Mass150.10
IUPAC Name4-(cyclohexen-1-yl)but-3-yn-1-ol
SMILESOCCC#CC1=CCCCC1
InChIInChI=1S/C10H14O/c11-9-5-4-8-10-6-2-1-3-7-10/h6,11H,1-3,5,7,9H2
InChIKeyXJSWZWBFBFRCNK-UHFFFAOYSA-N
XLogP1.87
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 ≤ 51.87
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 4-(cyclohexen-1-yl)but-3-yn-1-ol?
The IUPAC name of 4-(cyclohexen-1-yl)but-3-yn-1-ol (CID 11829621) is 4-(cyclohexen-1-yl)but-3-yn-1-ol.
What is the SMILES notation for 4-(cyclohexen-1-yl)but-3-yn-1-ol?
The canonical SMILES for 4-(cyclohexen-1-yl)but-3-yn-1-ol is OCCC#CC1=CCCCC1.
What is the InChIKey of 4-(cyclohexen-1-yl)but-3-yn-1-ol?
The InChIKey is XJSWZWBFBFRCNK-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H14O/c11-9-5-4-8-10-6-2-1-3-7-10/h6,11H,1-3,5,7,9H2.
What are the key properties of 4-(cyclohexen-1-yl)but-3-yn-1-ol?
4-(cyclohexen-1-yl)but-3-yn-1-ol has a molecular weight of 150.22 g/mol, XLogP of 1.87, 1 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 4-(cyclohexen-1-yl)but-3-yn-1-ol is sourced from PubChem (CID 11829621), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).