1-[(1R)-cyclohex-3-en-1-yl]ethenol

C8H12O — CID 166940864

IUPAC1-[(1R)-cyclohex-3-en-1-yl]ethenol
SMILESC=C(O)[C@H]1CC=CCC1
InChIInChI=1S/C8H12O/c1-7(9)8-5-3-2-4-6-8/h2-3,8-9H,1,4-6H2/t8-/m0/s1
InChIKeyZCECUPZYPOLBHT-QMMMGPOBSA-N
MW124.18 g/mol
LogP2.41
Rot. Bonds1

About 1-[(1R)-cyclohex-3-en-1-yl]ethenol

1-[(1R)-cyclohex-3-en-1-yl]ethenol (PubChem CID 166940864) has the molecular formula C8H12O and a molecular weight of 124.18 g/mol. Its IUPAC name is 1-[(1R)-cyclohex-3-en-1-yl]ethenol.

Molecular Properties

Compound Name1-[(1R)-cyclohex-3-en-1-yl]ethenol
PubChem CID166940864
Molecular FormulaC8H12O
Molecular Weight124.18 g/mol
Exact Mass124.09
IUPAC Name1-[(1R)-cyclohex-3-en-1-yl]ethenol
SMILESC=C(O)[C@H]1CC=CCC1
InChIInChI=1S/C8H12O/c1-7(9)8-5-3-2-4-6-8/h2-3,8-9H,1,4-6H2/t8-/m0/s1
InChIKeyZCECUPZYPOLBHT-QMMMGPOBSA-N
XLogP2.41
TPSA20.23 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds1
Heavy Atoms9
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500124.18
LogP ≤ 52.41
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 101

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'acyclic_C=C-O', 'substructure': 'N/A'}, {'alert_name': 'isolated_alkene', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of 1-[(1R)-cyclohex-3-en-1-yl]ethenol?
The IUPAC name of 1-[(1R)-cyclohex-3-en-1-yl]ethenol (CID 166940864) is 1-[(1R)-cyclohex-3-en-1-yl]ethenol.
What is the SMILES notation for 1-[(1R)-cyclohex-3-en-1-yl]ethenol?
The canonical SMILES for 1-[(1R)-cyclohex-3-en-1-yl]ethenol is C=C(O)[C@H]1CC=CCC1.
What is the InChIKey of 1-[(1R)-cyclohex-3-en-1-yl]ethenol?
The InChIKey is ZCECUPZYPOLBHT-QMMMGPOBSA-N. The full InChI is InChI=1S/C8H12O/c1-7(9)8-5-3-2-4-6-8/h2-3,8-9H,1,4-6H2/t8-/m0/s1.
What are the key properties of 1-[(1R)-cyclohex-3-en-1-yl]ethenol?
1-[(1R)-cyclohex-3-en-1-yl]ethenol has a molecular weight of 124.18 g/mol, XLogP of 2.41, 1 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[(1R)-cyclohex-3-en-1-yl]ethenol is sourced from PubChem (CID 166940864), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).