(3E,7E)-1-bromo-4,8-dimethyldeca-3,7-diene

C12H21Br — CID 14235229

IUPAC(3E,7E)-1-bromo-4,8-dimethyldeca-3,7-diene
SMILESCC/C(C)=C/CC/C(C)=C/CCBr
InChIInChI=1S/C12H21Br/c1-4-11(2)7-5-8-12(3)9-6-10-13/h7,9H,4-6,8,10H2,1-3H3/b11-7+,12-9+
InChIKeyFUYIIKZMHMVFPF-HNWKWBPYSA-N
MW245.20 g/mol
LogP4.85
Rot. Bonds6

About (3E,7E)-1-bromo-4,8-dimethyldeca-3,7-diene

(3E,7E)-1-bromo-4,8-dimethyldeca-3,7-diene (PubChem CID 14235229) has the molecular formula C12H21Br and a molecular weight of 245.20 g/mol. Its IUPAC name is (3E,7E)-1-bromo-4,8-dimethyldeca-3,7-diene.

Molecular Properties

Compound Name(3E,7E)-1-bromo-4,8-dimethyldeca-3,7-diene
PubChem CID14235229
Molecular FormulaC12H21Br
Molecular Weight245.20 g/mol
Exact Mass244.08
IUPAC Name(3E,7E)-1-bromo-4,8-dimethyldeca-3,7-diene
SMILESCC/C(C)=C/CC/C(C)=C/CCBr
InChIInChI=1S/C12H21Br/c1-4-11(2)7-5-8-12(3)9-6-10-13/h7,9H,4-6,8,10H2,1-3H3/b11-7+,12-9+
InChIKeyFUYIIKZMHMVFPF-HNWKWBPYSA-N
XLogP4.85
TPSA0.00 Ų
H-Bond Donors
H-Bond Acceptors
Rotatable Bonds6
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500245.20
LogP ≤ 54.85
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 100

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of (3E,7E)-1-bromo-4,8-dimethyldeca-3,7-diene?
The IUPAC name of (3E,7E)-1-bromo-4,8-dimethyldeca-3,7-diene (CID 14235229) is (3E,7E)-1-bromo-4,8-dimethyldeca-3,7-diene.
What is the SMILES notation for (3E,7E)-1-bromo-4,8-dimethyldeca-3,7-diene?
The canonical SMILES for (3E,7E)-1-bromo-4,8-dimethyldeca-3,7-diene is CC/C(C)=C/CC/C(C)=C/CCBr.
What is the InChIKey of (3E,7E)-1-bromo-4,8-dimethyldeca-3,7-diene?
The InChIKey is FUYIIKZMHMVFPF-HNWKWBPYSA-N. The full InChI is InChI=1S/C12H21Br/c1-4-11(2)7-5-8-12(3)9-6-10-13/h7,9H,4-6,8,10H2,1-3H3/b11-7+,12-9+.
What are the key properties of (3E,7E)-1-bromo-4,8-dimethyldeca-3,7-diene?
(3E,7E)-1-bromo-4,8-dimethyldeca-3,7-diene has a molecular weight of 245.20 g/mol, XLogP of 4.85, 6 rotatable bonds, 0 hydrogen bond donors, and 0 hydrogen bond acceptors.
Where does this data come from?
All data for (3E,7E)-1-bromo-4,8-dimethyldeca-3,7-diene is sourced from PubChem (CID 14235229), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).