1-(cyclohexen-1-yl)ethane-1,2-diol

C8H14O2 — CID 10964616

IUPAC1-(cyclohexen-1-yl)ethane-1,2-diol
SMILESOCC(O)C1=CCCCC1
InChIInChI=1S/C8H14O2/c9-6-8(10)7-4-2-1-3-5-7/h4,8-10H,1-3,5-6H2
InChIKeyLRJPEIMKYXSEHG-UHFFFAOYSA-N
MW142.20 g/mol
LogP0.84
Rot. Bonds2

About 1-(cyclohexen-1-yl)ethane-1,2-diol

1-(cyclohexen-1-yl)ethane-1,2-diol (PubChem CID 10964616) has the molecular formula C8H14O2 and a molecular weight of 142.20 g/mol. Its IUPAC name is 1-(cyclohexen-1-yl)ethane-1,2-diol.

Molecular Properties

Compound Name1-(cyclohexen-1-yl)ethane-1,2-diol
PubChem CID10964616
Molecular FormulaC8H14O2
Molecular Weight142.20 g/mol
Exact Mass142.10
IUPAC Name1-(cyclohexen-1-yl)ethane-1,2-diol
SMILESOCC(O)C1=CCCCC1
InChIInChI=1S/C8H14O2/c9-6-8(10)7-4-2-1-3-5-7/h4,8-10H,1-3,5-6H2
InChIKeyLRJPEIMKYXSEHG-UHFFFAOYSA-N
XLogP0.84
TPSA40.46 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms10
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500142.20
LogP ≤ 50.84
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

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Related Compounds

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CID 106657946
cyclohexen-1-ylmethanediol
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CID 106657572
cyclohexen-1-yl(cyclopenten-1-yl)methanol
CID 19798316
2-cyclobutyl-1-(cycloocten-1-yl)ethanol
CID 106657591
2-cyclobutyl-1-(cyclohepten-1-yl)ethanol
CID 103165442
1-(cyclohexen-1-yl)-4-methoxybutan-1-ol
CID 106657944
1-(cycloocten-1-yl)-2-[(2-methylpropan-2-yl)oxy]ethanol
CID 106657751
1-(cyclohepten-1-yl)-3-ethylsulfanylpropan-1-ol
CID 106651633
cycloocten-1-yl(cyclopropyl)methanol
CID 106651053
1-[(2R)-butan-2-yl]cyclohexene
CID 13107632
cyclohepten-1-yl(cyclopentyl)methanol
CID 62078752

Frequently Asked Questions

What is the IUPAC name of 1-(cyclohexen-1-yl)ethane-1,2-diol?
The IUPAC name of 1-(cyclohexen-1-yl)ethane-1,2-diol (CID 10964616) is 1-(cyclohexen-1-yl)ethane-1,2-diol.
What is the SMILES notation for 1-(cyclohexen-1-yl)ethane-1,2-diol?
The canonical SMILES for 1-(cyclohexen-1-yl)ethane-1,2-diol is OCC(O)C1=CCCCC1.
What is the InChIKey of 1-(cyclohexen-1-yl)ethane-1,2-diol?
The InChIKey is LRJPEIMKYXSEHG-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H14O2/c9-6-8(10)7-4-2-1-3-5-7/h4,8-10H,1-3,5-6H2.
What are the key properties of 1-(cyclohexen-1-yl)ethane-1,2-diol?
1-(cyclohexen-1-yl)ethane-1,2-diol has a molecular weight of 142.20 g/mol, XLogP of 0.84, 2 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(cyclohexen-1-yl)ethane-1,2-diol is sourced from PubChem (CID 10964616), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).