cyclohexa-1,3-dien-1-ol

C6H8O — CID 12682337

IUPACcyclohexa-1,3-dien-1-ol
SMILESOC1=CC=CCC1
InChIInChI=1S/C6H8O/c7-6-4-2-1-3-5-6/h1-2,4,7H,3,5H2
InChIKeyVMBUUPYAGAQZMM-UHFFFAOYSA-N
MW96.13 g/mol
LogP1.78
Rot. Bonds

About cyclohexa-1,3-dien-1-ol

cyclohexa-1,3-dien-1-ol (PubChem CID 12682337) has the molecular formula C6H8O and a molecular weight of 96.13 g/mol. Its IUPAC name is cyclohexa-1,3-dien-1-ol.

Molecular Properties

Compound Namecyclohexa-1,3-dien-1-ol
PubChem CID12682337
Molecular FormulaC6H8O
Molecular Weight96.13 g/mol
Exact Mass96.06
IUPAC Namecyclohexa-1,3-dien-1-ol
SMILESOC1=CC=CCC1
InChIInChI=1S/C6H8O/c7-6-4-2-1-3-5-6/h1-2,4,7H,3,5H2
InChIKeyVMBUUPYAGAQZMM-UHFFFAOYSA-N
XLogP1.78
TPSA20.23 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds
Heavy Atoms7
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 50096.13
LogP ≤ 51.78
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 101

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Frequently Asked Questions

What is the IUPAC name of cyclohexa-1,3-dien-1-ol?
The IUPAC name of cyclohexa-1,3-dien-1-ol (CID 12682337) is cyclohexa-1,3-dien-1-ol.
What is the SMILES notation for cyclohexa-1,3-dien-1-ol?
The canonical SMILES for cyclohexa-1,3-dien-1-ol is OC1=CC=CCC1.
What is the InChIKey of cyclohexa-1,3-dien-1-ol?
The InChIKey is VMBUUPYAGAQZMM-UHFFFAOYSA-N. The full InChI is InChI=1S/C6H8O/c7-6-4-2-1-3-5-6/h1-2,4,7H,3,5H2.
What are the key properties of cyclohexa-1,3-dien-1-ol?
cyclohexa-1,3-dien-1-ol has a molecular weight of 96.13 g/mol, XLogP of 1.78, 0 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for cyclohexa-1,3-dien-1-ol is sourced from PubChem (CID 12682337), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).