3-(cyclohexen-1-yl)prop-2-yn-1-ol

C9H12O — CID 12770182

IUPAC3-(cyclohexen-1-yl)prop-2-yn-1-ol
SMILESOCC#CC1=CCCCC1
InChIInChI=1S/C9H12O/c10-8-4-7-9-5-2-1-3-6-9/h5,10H,1-3,6,8H2
InChIKeyYARQJWKWITWROU-UHFFFAOYSA-N
MW136.19 g/mol
LogP1.48
Rot. Bonds

About 3-(cyclohexen-1-yl)prop-2-yn-1-ol

3-(cyclohexen-1-yl)prop-2-yn-1-ol (PubChem CID 12770182) has the molecular formula C9H12O and a molecular weight of 136.19 g/mol. Its IUPAC name is 3-(cyclohexen-1-yl)prop-2-yn-1-ol.

Molecular Properties

Compound Name3-(cyclohexen-1-yl)prop-2-yn-1-ol
PubChem CID12770182
Molecular FormulaC9H12O
Molecular Weight136.19 g/mol
Exact Mass136.09
IUPAC Name3-(cyclohexen-1-yl)prop-2-yn-1-ol
SMILESOCC#CC1=CCCCC1
InChIInChI=1S/C9H12O/c10-8-4-7-9-5-2-1-3-6-9/h5,10H,1-3,6,8H2
InChIKeyYARQJWKWITWROU-UHFFFAOYSA-N
XLogP1.48
TPSA20.23 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds
Heavy Atoms10
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500136.19
LogP ≤ 51.48
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 101

Computed Properties (RDKit)

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

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Related Compounds

3-Butyn-1-ol, 4-(1-cyclohexen-1-yl)-
CID 11829621
7-Methyloct-6-en-2-yn-1-ol
CID 10975562
4-(1-Cyclohexen-1-yl)-3-butyn-2-ol
CID 11040866
(6E)-7,11-dimethyl-6,10-dodecadien-2-yn-1-ol
CID 11830599
3-(Cyclopenten-1-yl)prop-2-yn-1-ol
CID 12244644
3-(Cyclooct-1-enyl)prop-2-yn-1-ol
CID 129660623
5-(Cyclohexen-1-yl)pent-4-yn-2-ol
CID 130122846
4-(Cyclopenten-1-yl)but-3-yn-1-ol
CID 134875441
4-(Cyclohepten-1-yl)but-3-yn-1-ol
CID 134894336
(6Z)-7,11-dimethyldodeca-6,10-dien-2-yn-1-ol
CID 134897745
Cyclohexene, 1-(3-methoxy-1-propynyl)-
CID 10487022
3-Cyclohexa-1,5-dien-1-ylprop-2-yn-1-ol
CID 15965698

Frequently Asked Questions

What is the IUPAC name of 3-(cyclohexen-1-yl)prop-2-yn-1-ol?
The IUPAC name of 3-(cyclohexen-1-yl)prop-2-yn-1-ol (CID 12770182) is 3-(cyclohexen-1-yl)prop-2-yn-1-ol.
What is the SMILES notation for 3-(cyclohexen-1-yl)prop-2-yn-1-ol?
The canonical SMILES for 3-(cyclohexen-1-yl)prop-2-yn-1-ol is OCC#CC1=CCCCC1.
What is the InChIKey of 3-(cyclohexen-1-yl)prop-2-yn-1-ol?
The InChIKey is YARQJWKWITWROU-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H12O/c10-8-4-7-9-5-2-1-3-6-9/h5,10H,1-3,6,8H2.
What are the key properties of 3-(cyclohexen-1-yl)prop-2-yn-1-ol?
3-(cyclohexen-1-yl)prop-2-yn-1-ol has a molecular weight of 136.19 g/mol, XLogP of 1.48, 0 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 3-(cyclohexen-1-yl)prop-2-yn-1-ol is sourced from PubChem (CID 12770182), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).