1-cyclohex-3-en-1-yl-4,4-dimethylpent-2-yn-1-ol

C13H20O — CID 13419505

IUPAC1-cyclohex-3-en-1-yl-4,4-dimethylpent-2-yn-1-ol
SMILESCC(C)(C)C#CC(O)C1CC=CCC1
InChIInChI=1S/C13H20O/c1-13(2,3)10-9-12(14)11-7-5-4-6-8-11/h4-5,11-12,14H,6-8H2,1-3H3
InChIKeyOENXJHXSUOGKDS-UHFFFAOYSA-N
MW192.30 g/mol
LogP2.75
Rot. Bonds1

About 1-cyclohex-3-en-1-yl-4,4-dimethylpent-2-yn-1-ol

1-cyclohex-3-en-1-yl-4,4-dimethylpent-2-yn-1-ol (PubChem CID 13419505) has the molecular formula C13H20O and a molecular weight of 192.30 g/mol. Its IUPAC name is 1-cyclohex-3-en-1-yl-4,4-dimethylpent-2-yn-1-ol.

Molecular Properties

Compound Name1-cyclohex-3-en-1-yl-4,4-dimethylpent-2-yn-1-ol
PubChem CID13419505
Molecular FormulaC13H20O
Molecular Weight192.30 g/mol
Exact Mass192.15
IUPAC Name1-cyclohex-3-en-1-yl-4,4-dimethylpent-2-yn-1-ol
SMILESCC(C)(C)C#CC(O)C1CC=CCC1
InChIInChI=1S/C13H20O/c1-13(2,3)10-9-12(14)11-7-5-4-6-8-11/h4-5,11-12,14H,6-8H2,1-3H3
InChIKeyOENXJHXSUOGKDS-UHFFFAOYSA-N
XLogP2.75
TPSA20.23 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds1
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500192.30
LogP ≤ 52.75
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'}

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Related Compounds

2-Cyclohexen-1-ol, 4,4,6-trimethyl-
CID 558612
3,7-Dimethyloct-6-en-2-ol
CID 85677
alpha-Methylcyclohex-3-ene-1-methanol
CID 12544072
1-Cyclohex-3-en-1-ylpropan-1-ol
CID 23131558
(1R)-1-[(1R,2S)-2-[(E)-hex-1-enyl]cyclopropyl]ethanol
CID 58281620
1-(Cyclohex-3-en-1-yl)-2-methylpropan-1-ol
CID 63900780
Isopropyl-3-cyclohexene-1-methanol
CID 129805592
1-Hydroxymethyl-2,5-dimethyl-3-cyclohexene
CID 129807081
2,6,6-Trimethyl-1-[1-hydroxy-2-butynyl]-2-cyclohexene
CID 12931925
2,6,6-Trimethylcyclohex-3-en-1-ol
CID 20238252
(1R)-3,5,5-trimethyl-4-[(Z)-3,7,12-trimethyltridec-4-en-1-ynyl]cyclohex-3-en-1-ol
CID 178243442
(1R)-3,5,5-trimethyl-4-[(E)-3,7,12-trimethyltridec-4-en-1-ynyl]cyclohex-3-en-1-ol
CID 178243446

Frequently Asked Questions

What is the IUPAC name of 1-cyclohex-3-en-1-yl-4,4-dimethylpent-2-yn-1-ol?
The IUPAC name of 1-cyclohex-3-en-1-yl-4,4-dimethylpent-2-yn-1-ol (CID 13419505) is 1-cyclohex-3-en-1-yl-4,4-dimethylpent-2-yn-1-ol.
What is the SMILES notation for 1-cyclohex-3-en-1-yl-4,4-dimethylpent-2-yn-1-ol?
The canonical SMILES for 1-cyclohex-3-en-1-yl-4,4-dimethylpent-2-yn-1-ol is CC(C)(C)C#CC(O)C1CC=CCC1.
What is the InChIKey of 1-cyclohex-3-en-1-yl-4,4-dimethylpent-2-yn-1-ol?
The InChIKey is OENXJHXSUOGKDS-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H20O/c1-13(2,3)10-9-12(14)11-7-5-4-6-8-11/h4-5,11-12,14H,6-8H2,1-3H3.
What are the key properties of 1-cyclohex-3-en-1-yl-4,4-dimethylpent-2-yn-1-ol?
1-cyclohex-3-en-1-yl-4,4-dimethylpent-2-yn-1-ol has a molecular weight of 192.30 g/mol, XLogP of 2.75, 1 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 1-cyclohex-3-en-1-yl-4,4-dimethylpent-2-yn-1-ol is sourced from PubChem (CID 13419505), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).