7-bromo-2,6-dimethylhepta-4,5-dien-3-ol

C9H15BrO — CID 11241439

IUPAC7-bromo-2,6-dimethylhepta-4,5-dien-3-ol
SMILESCC(=C=CC(O)C(C)C)CBr
InChIInChI=1S/C9H15BrO/c1-7(2)9(11)5-4-8(3)6-10/h5,7,9,11H,6H2,1-3H3
InChIKeyUMONIGCZNPTJKL-UHFFFAOYSA-N
MW219.12 g/mol
LogP2.50
Rot. Bonds3

About 7-bromo-2,6-dimethylhepta-4,5-dien-3-ol

7-bromo-2,6-dimethylhepta-4,5-dien-3-ol (PubChem CID 11241439) has the molecular formula C9H15BrO and a molecular weight of 219.12 g/mol. Its IUPAC name is 7-bromo-2,6-dimethylhepta-4,5-dien-3-ol.

Molecular Properties

Compound Name7-bromo-2,6-dimethylhepta-4,5-dien-3-ol
PubChem CID11241439
Molecular FormulaC9H15BrO
Molecular Weight219.12 g/mol
Exact Mass218.03
IUPAC Name7-bromo-2,6-dimethylhepta-4,5-dien-3-ol
SMILESCC(=C=CC(O)C(C)C)CBr
InChIInChI=1S/C9H15BrO/c1-7(2)9(11)5-4-8(3)6-10/h5,7,9,11H,6H2,1-3H3
InChIKeyUMONIGCZNPTJKL-UHFFFAOYSA-N
XLogP2.50
TPSA20.23 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds3
Heavy Atoms11
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500219.12
LogP ≤ 52.50
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 101

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of 7-bromo-2,6-dimethylhepta-4,5-dien-3-ol?
The IUPAC name of 7-bromo-2,6-dimethylhepta-4,5-dien-3-ol (CID 11241439) is 7-bromo-2,6-dimethylhepta-4,5-dien-3-ol.
What is the SMILES notation for 7-bromo-2,6-dimethylhepta-4,5-dien-3-ol?
The canonical SMILES for 7-bromo-2,6-dimethylhepta-4,5-dien-3-ol is CC(=C=CC(O)C(C)C)CBr.
What is the InChIKey of 7-bromo-2,6-dimethylhepta-4,5-dien-3-ol?
The InChIKey is UMONIGCZNPTJKL-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H15BrO/c1-7(2)9(11)5-4-8(3)6-10/h5,7,9,11H,6H2,1-3H3.
What are the key properties of 7-bromo-2,6-dimethylhepta-4,5-dien-3-ol?
7-bromo-2,6-dimethylhepta-4,5-dien-3-ol has a molecular weight of 219.12 g/mol, XLogP of 2.50, 3 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 7-bromo-2,6-dimethylhepta-4,5-dien-3-ol is sourced from PubChem (CID 11241439), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).