(1E)-1-bromo-4,8-dimethylnona-1,7-diene

C11H19Br — CID 12610286

IUPAC(1E)-1-bromo-4,8-dimethylnona-1,7-diene
SMILESCC(C)=CCCC(C)C/C=C/Br
InChIInChI=1S/C11H19Br/c1-10(2)6-4-7-11(3)8-5-9-12/h5-6,9,11H,4,7-8H2,1-3H3/b9-5+
InChIKeyROYGQUVKTSWXKA-WEVVVXLNSA-N
MW231.18 g/mol
LogP4.67
Rot. Bonds5

About (1E)-1-bromo-4,8-dimethylnona-1,7-diene

(1E)-1-bromo-4,8-dimethylnona-1,7-diene (PubChem CID 12610286) has the molecular formula C11H19Br and a molecular weight of 231.18 g/mol. Its IUPAC name is (1E)-1-bromo-4,8-dimethylnona-1,7-diene.

Molecular Properties

Compound Name(1E)-1-bromo-4,8-dimethylnona-1,7-diene
PubChem CID12610286
Molecular FormulaC11H19Br
Molecular Weight231.18 g/mol
Exact Mass230.07
IUPAC Name(1E)-1-bromo-4,8-dimethylnona-1,7-diene
SMILESCC(C)=CCCC(C)C/C=C/Br
InChIInChI=1S/C11H19Br/c1-10(2)6-4-7-11(3)8-5-9-12/h5-6,9,11H,4,7-8H2,1-3H3/b9-5+
InChIKeyROYGQUVKTSWXKA-WEVVVXLNSA-N
XLogP4.67
TPSA0.00 Ų
H-Bond Donors
H-Bond Acceptors
Rotatable Bonds5
Heavy Atoms12
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500231.18
LogP ≤ 54.67
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 100

Computed Properties (RDKit)

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

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Related Compounds

2,6-Dimethyl-2-octene
CID 19974
Cyclohexene, 4-(2-bromoethyl)-
CID 557023
(S)-(+)-Citronellyl bromide
CID 10900106
(R)-(-)-Citronellyl bromide
CID 11042221
(R)-2,6-Dimethyl-oct-2-ene
CID 11322496
(4E)-7-methyldec-4-ene
CID 5363240
trans-Phytyl Bromide
CID 10498678
8-Bromo-2,6-dimethyloct-2-ene
CID 4328245
(E)-2,5-Dimethyl-1,6-octadiene
CID 5362878
4,8-Dimethyl-1,7-nonadiene
CID 534956
4-Decene, 8-methyl-, (E)-
CID 5352803
(5Z)-9-Methyl-5-undecene
CID 5366159

Frequently Asked Questions

What is the IUPAC name of (1E)-1-bromo-4,8-dimethylnona-1,7-diene?
The IUPAC name of (1E)-1-bromo-4,8-dimethylnona-1,7-diene (CID 12610286) is (1E)-1-bromo-4,8-dimethylnona-1,7-diene.
What is the SMILES notation for (1E)-1-bromo-4,8-dimethylnona-1,7-diene?
The canonical SMILES for (1E)-1-bromo-4,8-dimethylnona-1,7-diene is CC(C)=CCCC(C)C/C=C/Br.
What is the InChIKey of (1E)-1-bromo-4,8-dimethylnona-1,7-diene?
The InChIKey is ROYGQUVKTSWXKA-WEVVVXLNSA-N. The full InChI is InChI=1S/C11H19Br/c1-10(2)6-4-7-11(3)8-5-9-12/h5-6,9,11H,4,7-8H2,1-3H3/b9-5+.
What are the key properties of (1E)-1-bromo-4,8-dimethylnona-1,7-diene?
(1E)-1-bromo-4,8-dimethylnona-1,7-diene has a molecular weight of 231.18 g/mol, XLogP of 4.67, 5 rotatable bonds, 0 hydrogen bond donors, and 0 hydrogen bond acceptors.
Where does this data come from?
All data for (1E)-1-bromo-4,8-dimethylnona-1,7-diene is sourced from PubChem (CID 12610286), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).