(3Z)-4,5-dibromo-2-methylhexa-1,3,5-trien-3-ol

C7H8Br2O — CID 143978789

IUPAC(3Z)-4,5-dibromo-2-methylhexa-1,3,5-trien-3-ol
SMILESC=C(C)/C(O)=C(/Br)C(=C)Br
InChIInChI=1S/C7H8Br2O/c1-4(2)7(10)6(9)5(3)8/h10H,1,3H2,2H3/b7-6-
InChIKeyAUHMJCVKLGTYEP-SREVYHEPSA-N
MW267.95 g/mol
LogP3.64
Rot. Bonds2

About (3Z)-4,5-dibromo-2-methylhexa-1,3,5-trien-3-ol

(3Z)-4,5-dibromo-2-methylhexa-1,3,5-trien-3-ol (PubChem CID 143978789) has the molecular formula C7H8Br2O and a molecular weight of 267.95 g/mol. Its IUPAC name is (3Z)-4,5-dibromo-2-methylhexa-1,3,5-trien-3-ol.

Molecular Properties

Compound Name(3Z)-4,5-dibromo-2-methylhexa-1,3,5-trien-3-ol
PubChem CID143978789
Molecular FormulaC7H8Br2O
Molecular Weight267.95 g/mol
Exact Mass265.89
IUPAC Name(3Z)-4,5-dibromo-2-methylhexa-1,3,5-trien-3-ol
SMILESC=C(C)/C(O)=C(/Br)C(=C)Br
InChIInChI=1S/C7H8Br2O/c1-4(2)7(10)6(9)5(3)8/h10H,1,3H2,2H3/b7-6-
InChIKeyAUHMJCVKLGTYEP-SREVYHEPSA-N
XLogP3.64
TPSA20.23 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds2
Heavy Atoms10
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500267.95
LogP ≤ 53.64
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 101

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'acyclic_C=C-O', 'substructure': 'N/A'}, {'alert_name': 'polyene', 'substructure': 'N/A'}

Analyze (3Z)-4,5-dibromo-2-methylhexa-1,3,5-trien-3-ol with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Frequently Asked Questions

What is the IUPAC name of (3Z)-4,5-dibromo-2-methylhexa-1,3,5-trien-3-ol?
The IUPAC name of (3Z)-4,5-dibromo-2-methylhexa-1,3,5-trien-3-ol (CID 143978789) is (3Z)-4,5-dibromo-2-methylhexa-1,3,5-trien-3-ol.
What is the SMILES notation for (3Z)-4,5-dibromo-2-methylhexa-1,3,5-trien-3-ol?
The canonical SMILES for (3Z)-4,5-dibromo-2-methylhexa-1,3,5-trien-3-ol is C=C(C)/C(O)=C(/Br)C(=C)Br.
What is the InChIKey of (3Z)-4,5-dibromo-2-methylhexa-1,3,5-trien-3-ol?
The InChIKey is AUHMJCVKLGTYEP-SREVYHEPSA-N. The full InChI is InChI=1S/C7H8Br2O/c1-4(2)7(10)6(9)5(3)8/h10H,1,3H2,2H3/b7-6-.
What are the key properties of (3Z)-4,5-dibromo-2-methylhexa-1,3,5-trien-3-ol?
(3Z)-4,5-dibromo-2-methylhexa-1,3,5-trien-3-ol has a molecular weight of 267.95 g/mol, XLogP of 3.64, 2 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for (3Z)-4,5-dibromo-2-methylhexa-1,3,5-trien-3-ol is sourced from PubChem (CID 143978789), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).