1-cyclohex-3-en-1-ylethanol

C8H14O — CID 12544072

IUPAC1-cyclohex-3-en-1-ylethanol
SMILESCC(O)C1CC=CCC1
InChIInChI=1S/C8H14O/c1-7(9)8-5-3-2-4-6-8/h2-3,7-9H,4-6H2,1H3
InChIKeyZBTVKVSHKXTLBJ-UHFFFAOYSA-N
MW126.20 g/mol
LogP1.72
Rot. Bonds1

About 1-cyclohex-3-en-1-ylethanol

1-cyclohex-3-en-1-ylethanol (PubChem CID 12544072) has the molecular formula C8H14O and a molecular weight of 126.20 g/mol. Its IUPAC name is 1-cyclohex-3-en-1-ylethanol.

Molecular Properties

Compound Name1-cyclohex-3-en-1-ylethanol
PubChem CID12544072
Molecular FormulaC8H14O
Molecular Weight126.20 g/mol
Exact Mass126.10
IUPAC Name1-cyclohex-3-en-1-ylethanol
SMILESCC(O)C1CC=CCC1
InChIInChI=1S/C8H14O/c1-7(9)8-5-3-2-4-6-8/h2-3,7-9H,4-6H2,1H3
InChIKeyZBTVKVSHKXTLBJ-UHFFFAOYSA-N
XLogP1.72
TPSA20.23 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds1
Heavy Atoms9
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500126.20
LogP ≤ 51.72
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 101

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of 1-cyclohex-3-en-1-ylethanol?
The IUPAC name of 1-cyclohex-3-en-1-ylethanol (CID 12544072) is 1-cyclohex-3-en-1-ylethanol.
What is the SMILES notation for 1-cyclohex-3-en-1-ylethanol?
The canonical SMILES for 1-cyclohex-3-en-1-ylethanol is CC(O)C1CC=CCC1.
What is the InChIKey of 1-cyclohex-3-en-1-ylethanol?
The InChIKey is ZBTVKVSHKXTLBJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H14O/c1-7(9)8-5-3-2-4-6-8/h2-3,7-9H,4-6H2,1H3.
What are the key properties of 1-cyclohex-3-en-1-ylethanol?
1-cyclohex-3-en-1-ylethanol has a molecular weight of 126.20 g/mol, XLogP of 1.72, 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-ylethanol is sourced from PubChem (CID 12544072), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).