2,6-bis(prop-2-enyl)cyclohexa-1,5-dien-1-ol

C12H16O — CID 22151679

IUPAC2,6-bis(prop-2-enyl)cyclohexa-1,5-dien-1-ol
SMILESC=CCC1=CCCC(CC=C)=C1O
InChIInChI=1S/C12H16O/c1-3-6-10-8-5-9-11(7-4-2)12(10)13/h3-4,8,13H,1-2,5-7,9H2
InChIKeyOQZOWZLHVVVQGU-UHFFFAOYSA-N
MW176.26 g/mol
LogP3.67
Rot. Bonds4

About 2,6-bis(prop-2-enyl)cyclohexa-1,5-dien-1-ol

2,6-bis(prop-2-enyl)cyclohexa-1,5-dien-1-ol (PubChem CID 22151679) has the molecular formula C12H16O and a molecular weight of 176.26 g/mol. Its IUPAC name is 2,6-bis(prop-2-enyl)cyclohexa-1,5-dien-1-ol.

Molecular Properties

Compound Name2,6-bis(prop-2-enyl)cyclohexa-1,5-dien-1-ol
PubChem CID22151679
Molecular FormulaC12H16O
Molecular Weight176.26 g/mol
Exact Mass176.12
IUPAC Name2,6-bis(prop-2-enyl)cyclohexa-1,5-dien-1-ol
SMILESC=CCC1=CCCC(CC=C)=C1O
InChIInChI=1S/C12H16O/c1-3-6-10-8-5-9-11(7-4-2)12(10)13/h3-4,8,13H,1-2,5-7,9H2
InChIKeyOQZOWZLHVVVQGU-UHFFFAOYSA-N
XLogP3.67
TPSA20.23 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds4
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500176.26
LogP ≤ 53.67
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 2,6-bis(prop-2-enyl)cyclohexa-1,5-dien-1-ol?
The IUPAC name of 2,6-bis(prop-2-enyl)cyclohexa-1,5-dien-1-ol (CID 22151679) is 2,6-bis(prop-2-enyl)cyclohexa-1,5-dien-1-ol.
What is the SMILES notation for 2,6-bis(prop-2-enyl)cyclohexa-1,5-dien-1-ol?
The canonical SMILES for 2,6-bis(prop-2-enyl)cyclohexa-1,5-dien-1-ol is C=CCC1=CCCC(CC=C)=C1O.
What is the InChIKey of 2,6-bis(prop-2-enyl)cyclohexa-1,5-dien-1-ol?
The InChIKey is OQZOWZLHVVVQGU-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H16O/c1-3-6-10-8-5-9-11(7-4-2)12(10)13/h3-4,8,13H,1-2,5-7,9H2.
What are the key properties of 2,6-bis(prop-2-enyl)cyclohexa-1,5-dien-1-ol?
2,6-bis(prop-2-enyl)cyclohexa-1,5-dien-1-ol has a molecular weight of 176.26 g/mol, XLogP of 3.67, 4 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 2,6-bis(prop-2-enyl)cyclohexa-1,5-dien-1-ol is sourced from PubChem (CID 22151679), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).