cyclohex-3-en-1-ylmethanol

C7H12O — CID 15512

IUPACcyclohex-3-en-1-ylmethanol
SMILESOCC1CC=CCC1
InChIInChI=1S/C7H12O/c8-6-7-4-2-1-3-5-7/h1-2,7-8H,3-6H2
InChIKeyVEIYJWQZNGASMA-UHFFFAOYSA-N
MW112.17 g/mol
LogP1.34
Rot. Bonds1

About cyclohex-3-en-1-ylmethanol

cyclohex-3-en-1-ylmethanol (PubChem CID 15512) has the molecular formula C7H12O and a molecular weight of 112.17 g/mol. Its IUPAC name is cyclohex-3-en-1-ylmethanol.

Molecular Properties

Compound Namecyclohex-3-en-1-ylmethanol
PubChem CID15512
Molecular FormulaC7H12O
Molecular Weight112.17 g/mol
Exact Mass112.09
IUPAC Namecyclohex-3-en-1-ylmethanol
SMILESOCC1CC=CCC1
InChIInChI=1S/C7H12O/c8-6-7-4-2-1-3-5-7/h1-2,7-8H,3-6H2
InChIKeyVEIYJWQZNGASMA-UHFFFAOYSA-N
XLogP1.34
TPSA20.23 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds1
Heavy Atoms8
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500112.17
LogP ≤ 51.34
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 cyclohex-3-en-1-ylmethanol?
The IUPAC name of cyclohex-3-en-1-ylmethanol (CID 15512) is cyclohex-3-en-1-ylmethanol.
What is the SMILES notation for cyclohex-3-en-1-ylmethanol?
The canonical SMILES for cyclohex-3-en-1-ylmethanol is OCC1CC=CCC1.
What is the InChIKey of cyclohex-3-en-1-ylmethanol?
The InChIKey is VEIYJWQZNGASMA-UHFFFAOYSA-N. The full InChI is InChI=1S/C7H12O/c8-6-7-4-2-1-3-5-7/h1-2,7-8H,3-6H2.
What are the key properties of cyclohex-3-en-1-ylmethanol?
cyclohex-3-en-1-ylmethanol has a molecular weight of 112.17 g/mol, XLogP of 1.34, 1 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for cyclohex-3-en-1-ylmethanol is sourced from PubChem (CID 15512), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).