(3Z)-4-bromo-6-methylhepta-3,5-dien-3-ol

C8H13BrO — CID 166942927

IUPAC(3Z)-4-bromo-6-methylhepta-3,5-dien-3-ol
SMILESCC/C(O)=C(/Br)C=C(C)C
InChIInChI=1S/C8H13BrO/c1-4-8(10)7(9)5-6(2)3/h5,10H,4H2,1-3H3/b8-7-
InChIKeyINPXIPKTYKILEH-FPLPWBNLSA-N
MW205.09 g/mol
LogP3.53
Rot. Bonds2

About (3Z)-4-bromo-6-methylhepta-3,5-dien-3-ol

(3Z)-4-bromo-6-methylhepta-3,5-dien-3-ol (PubChem CID 166942927) has the molecular formula C8H13BrO and a molecular weight of 205.09 g/mol. Its IUPAC name is (3Z)-4-bromo-6-methylhepta-3,5-dien-3-ol.

Molecular Properties

Compound Name(3Z)-4-bromo-6-methylhepta-3,5-dien-3-ol
PubChem CID166942927
Molecular FormulaC8H13BrO
Molecular Weight205.09 g/mol
Exact Mass204.01
IUPAC Name(3Z)-4-bromo-6-methylhepta-3,5-dien-3-ol
SMILESCC/C(O)=C(/Br)C=C(C)C
InChIInChI=1S/C8H13BrO/c1-4-8(10)7(9)5-6(2)3/h5,10H,4H2,1-3H3/b8-7-
InChIKeyINPXIPKTYKILEH-FPLPWBNLSA-N
XLogP3.53
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 ≤ 53.53
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-bromo-6-methylhepta-3,5-dien-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-bromo-6-methylhepta-3,5-dien-3-ol?
The IUPAC name of (3Z)-4-bromo-6-methylhepta-3,5-dien-3-ol (CID 166942927) is (3Z)-4-bromo-6-methylhepta-3,5-dien-3-ol.
What is the SMILES notation for (3Z)-4-bromo-6-methylhepta-3,5-dien-3-ol?
The canonical SMILES for (3Z)-4-bromo-6-methylhepta-3,5-dien-3-ol is CC/C(O)=C(/Br)C=C(C)C.
What is the InChIKey of (3Z)-4-bromo-6-methylhepta-3,5-dien-3-ol?
The InChIKey is INPXIPKTYKILEH-FPLPWBNLSA-N. The full InChI is InChI=1S/C8H13BrO/c1-4-8(10)7(9)5-6(2)3/h5,10H,4H2,1-3H3/b8-7-.
What are the key properties of (3Z)-4-bromo-6-methylhepta-3,5-dien-3-ol?
(3Z)-4-bromo-6-methylhepta-3,5-dien-3-ol has a molecular weight of 205.09 g/mol, XLogP of 3.53, 2 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for (3Z)-4-bromo-6-methylhepta-3,5-dien-3-ol is sourced from PubChem (CID 166942927), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).