1-ethenylcyclohexa-2,4-dien-1-ol

C8H10O — CID 66814582

IUPAC1-ethenylcyclohexa-2,4-dien-1-ol
SMILESC=CC1(O)C=CC=CC1
InChIInChI=1S/C8H10O/c1-2-8(9)6-4-3-5-7-8/h2-6,9H,1,7H2
InChIKeyDVAXOVZBOHTDAJ-UHFFFAOYSA-N
MW122.17 g/mol
LogP1.42
Rot. Bonds1

About 1-ethenylcyclohexa-2,4-dien-1-ol

1-ethenylcyclohexa-2,4-dien-1-ol (PubChem CID 66814582) has the molecular formula C8H10O and a molecular weight of 122.17 g/mol. Its IUPAC name is 1-ethenylcyclohexa-2,4-dien-1-ol.

Molecular Properties

Compound Name1-ethenylcyclohexa-2,4-dien-1-ol
PubChem CID66814582
Molecular FormulaC8H10O
Molecular Weight122.17 g/mol
Exact Mass122.07
IUPAC Name1-ethenylcyclohexa-2,4-dien-1-ol
SMILESC=CC1(O)C=CC=CC1
InChIInChI=1S/C8H10O/c1-2-8(9)6-4-3-5-7-8/h2-6,9H,1,7H2
InChIKeyDVAXOVZBOHTDAJ-UHFFFAOYSA-N
XLogP1.42
TPSA20.23 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds1
Heavy Atoms9
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500122.17
LogP ≤ 51.42
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 101

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of 1-ethenylcyclohexa-2,4-dien-1-ol?
The IUPAC name of 1-ethenylcyclohexa-2,4-dien-1-ol (CID 66814582) is 1-ethenylcyclohexa-2,4-dien-1-ol.
What is the SMILES notation for 1-ethenylcyclohexa-2,4-dien-1-ol?
The canonical SMILES for 1-ethenylcyclohexa-2,4-dien-1-ol is C=CC1(O)C=CC=CC1.
What is the InChIKey of 1-ethenylcyclohexa-2,4-dien-1-ol?
The InChIKey is DVAXOVZBOHTDAJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H10O/c1-2-8(9)6-4-3-5-7-8/h2-6,9H,1,7H2.
What are the key properties of 1-ethenylcyclohexa-2,4-dien-1-ol?
1-ethenylcyclohexa-2,4-dien-1-ol has a molecular weight of 122.17 g/mol, XLogP of 1.42, 1 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 1-ethenylcyclohexa-2,4-dien-1-ol is sourced from PubChem (CID 66814582), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).