2-(cyclohexen-1-yl)but-3-en-2-ol

C10H16O — CID 11332570

IUPAC2-(cyclohexen-1-yl)but-3-en-2-ol
SMILESC=CC(C)(O)C1=CCCCC1
InChIInChI=1S/C10H16O/c1-3-10(2,11)9-7-5-4-6-8-9/h3,7,11H,1,4-6,8H2,2H3
InChIKeyIYXCFQCUWKCAFT-UHFFFAOYSA-N
MW152.24 g/mol
LogP2.42
Rot. Bonds2

About 2-(cyclohexen-1-yl)but-3-en-2-ol

2-(cyclohexen-1-yl)but-3-en-2-ol (PubChem CID 11332570) has the molecular formula C10H16O and a molecular weight of 152.24 g/mol. Its IUPAC name is 2-(cyclohexen-1-yl)but-3-en-2-ol.

Molecular Properties

Compound Name2-(cyclohexen-1-yl)but-3-en-2-ol
PubChem CID11332570
Molecular FormulaC10H16O
Molecular Weight152.24 g/mol
Exact Mass152.12
IUPAC Name2-(cyclohexen-1-yl)but-3-en-2-ol
SMILESC=CC(C)(O)C1=CCCCC1
InChIInChI=1S/C10H16O/c1-3-10(2,11)9-7-5-4-6-8-9/h3,7,11H,1,4-6,8H2,2H3
InChIKeyIYXCFQCUWKCAFT-UHFFFAOYSA-N
XLogP2.42
TPSA20.23 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds2
Heavy Atoms11
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500152.24
LogP ≤ 52.42
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 101

Computed Properties (RDKit)

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

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Related Compounds

2-[(1E)-cyclododecen-1-yl]propan-2-ol
CID 88736896
2-(cyclohexen-1-yl)-1,1-dimethoxypropan-2-ol
CID 106651265
1-(cyclohexen-1-yl)ethane-1,1-diamine
CID 22286699
3-amino-2-(cyclohexen-1-yl)-2-methylpropan-1-ol
CID 13460670
1-(cyclohexen-1-yl)-1-phenylethanol
CID 538858
2-(cyclohexen-1-yl)pentane-2,4-diol
CID 14546133
2-(cyclohexen-1-yl)-2-fluoropropanoic acid
CID 105435083
1-tert-butylcyclopentene
CID 13414410
1-(cyclohexen-1-yl)-1-(3,5-difluorophenyl)ethanol
CID 106651344
1-(cyclohepten-1-yl)-1-fluoroethanamine
CID 105430737
2-(cyclohepten-1-yl)-1-ethoxypropan-2-ol
CID 106651627
2-(cycloocten-1-yl)-1-(ethylamino)propan-2-ol
CID 106654928

Frequently Asked Questions

What is the IUPAC name of 2-(cyclohexen-1-yl)but-3-en-2-ol?
The IUPAC name of 2-(cyclohexen-1-yl)but-3-en-2-ol (CID 11332570) is 2-(cyclohexen-1-yl)but-3-en-2-ol.
What is the SMILES notation for 2-(cyclohexen-1-yl)but-3-en-2-ol?
The canonical SMILES for 2-(cyclohexen-1-yl)but-3-en-2-ol is C=CC(C)(O)C1=CCCCC1.
What is the InChIKey of 2-(cyclohexen-1-yl)but-3-en-2-ol?
The InChIKey is IYXCFQCUWKCAFT-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H16O/c1-3-10(2,11)9-7-5-4-6-8-9/h3,7,11H,1,4-6,8H2,2H3.
What are the key properties of 2-(cyclohexen-1-yl)but-3-en-2-ol?
2-(cyclohexen-1-yl)but-3-en-2-ol has a molecular weight of 152.24 g/mol, XLogP of 2.42, 2 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(cyclohexen-1-yl)but-3-en-2-ol is sourced from PubChem (CID 11332570), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).