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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Related Compounds

2-methylhexa-4,5-dien-3-ol
CID 10986182
1-bromopropan-2-ol
CID 29740
1-bromopropan-2-ol;hydrochloride
CID 174841035
(1R,7R)-1-(5-bromo-2-hydroxyphenyl)-5,8-dimethylnona-3,4-diene-1,7-diol
CID 23946853
(E,3R)-2-methylhept-4-en-3-ol
CID 59911150
2-methylhept-4-en-3-ol
CID 54499499
(3R)-2,6-dimethylhept-5-en-3-ol
CID 141014300
azane;4-methylpent-1-en-3-ol
CID 175575018
ethane;tetrakis(propan-2-ol)
CID 174681393
(3S,4S,6R)-2,7-dimethyloctane-3,4,6-triol
CID 46849978
(3R)-2,5-dimethyl-7-phenylhept-4-en-3-ol
CID 71428200
(3S)-2-methylhex-5-yn-3-ol
CID 11789160

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).