5-bromo-2,4-dimethylhexa-2,4-dien-1-ol

C8H13BrO — CID 71336745

IUPAC5-bromo-2,4-dimethylhexa-2,4-dien-1-ol
SMILESCC(=CC(C)=C(C)Br)CO
InChIInChI=1S/C8H13BrO/c1-6(5-10)4-7(2)8(3)9/h4,10H,5H2,1-3H3
InChIKeyBJBWOHQRLXEFGS-UHFFFAOYSA-N
MW205.09 g/mol
LogP2.61
Rot. Bonds2

About 5-bromo-2,4-dimethylhexa-2,4-dien-1-ol

5-bromo-2,4-dimethylhexa-2,4-dien-1-ol (PubChem CID 71336745) has the molecular formula C8H13BrO and a molecular weight of 205.09 g/mol. Its IUPAC name is 5-bromo-2,4-dimethylhexa-2,4-dien-1-ol.

Molecular Properties

Compound Name5-bromo-2,4-dimethylhexa-2,4-dien-1-ol
PubChem CID71336745
Molecular FormulaC8H13BrO
Molecular Weight205.09 g/mol
Exact Mass204.01
IUPAC Name5-bromo-2,4-dimethylhexa-2,4-dien-1-ol
SMILESCC(=CC(C)=C(C)Br)CO
InChIInChI=1S/C8H13BrO/c1-6(5-10)4-7(2)8(3)9/h4,10H,5H2,1-3H3
InChIKeyBJBWOHQRLXEFGS-UHFFFAOYSA-N
XLogP2.61
TPSA20.23 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds2
Heavy Atoms10
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500205.09
LogP ≤ 52.61
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 101

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of 5-bromo-2,4-dimethylhexa-2,4-dien-1-ol?
The IUPAC name of 5-bromo-2,4-dimethylhexa-2,4-dien-1-ol (CID 71336745) is 5-bromo-2,4-dimethylhexa-2,4-dien-1-ol.
What is the SMILES notation for 5-bromo-2,4-dimethylhexa-2,4-dien-1-ol?
The canonical SMILES for 5-bromo-2,4-dimethylhexa-2,4-dien-1-ol is CC(=CC(C)=C(C)Br)CO.
What is the InChIKey of 5-bromo-2,4-dimethylhexa-2,4-dien-1-ol?
The InChIKey is BJBWOHQRLXEFGS-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H13BrO/c1-6(5-10)4-7(2)8(3)9/h4,10H,5H2,1-3H3.
What are the key properties of 5-bromo-2,4-dimethylhexa-2,4-dien-1-ol?
5-bromo-2,4-dimethylhexa-2,4-dien-1-ol has a molecular weight of 205.09 g/mol, XLogP of 2.61, 2 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 5-bromo-2,4-dimethylhexa-2,4-dien-1-ol is sourced from PubChem (CID 71336745), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).