4-bromo-4-propylhepta-1,6-diene

C10H17Br — CID 102247651

IUPAC4-bromo-4-propylhepta-1,6-diene
SMILESC=CCC(Br)(CC=C)CCC
InChIInChI=1S/C10H17Br/c1-4-7-10(11,8-5-2)9-6-3/h4-5H,1-2,6-9H2,3H3
InChIKeyUHXOQKQNCGSOJQ-UHFFFAOYSA-N
MW217.15 g/mol
LogP4.07
Rot. Bonds6

About 4-bromo-4-propylhepta-1,6-diene

4-bromo-4-propylhepta-1,6-diene (PubChem CID 102247651) has the molecular formula C10H17Br and a molecular weight of 217.15 g/mol. Its IUPAC name is 4-bromo-4-propylhepta-1,6-diene.

Molecular Properties

Compound Name4-bromo-4-propylhepta-1,6-diene
PubChem CID102247651
Molecular FormulaC10H17Br
Molecular Weight217.15 g/mol
Exact Mass216.05
IUPAC Name4-bromo-4-propylhepta-1,6-diene
SMILESC=CCC(Br)(CC=C)CCC
InChIInChI=1S/C10H17Br/c1-4-7-10(11,8-5-2)9-6-3/h4-5H,1-2,6-9H2,3H3
InChIKeyUHXOQKQNCGSOJQ-UHFFFAOYSA-N
XLogP4.07
TPSA0.00 Ų
H-Bond Donors
H-Bond Acceptors
Rotatable Bonds6
Heavy Atoms11
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500217.15
LogP ≤ 54.07
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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Related Compounds

5-Bromo-5-methylhex-1-ene
CID 14027481
6-Bromo-6-methyl-1-heptene
CID 14248212
4-Bromo-6-methylhept-1-ene
CID 21619184
6-Bromo-6-ethyloct-1-ene
CID 10798895
(3R)-3-(2-bromoethyl)-2-methylhepta-1,6-diene
CID 15609390
4-(Bromomethyl)-4-propylhept-1-ene
CID 125492204
Brom-allyl-cyclopentan
CID 129634541
8-Bromo-6,6-dimethyloct-1-ene
CID 85790586
3-(2-Bromoethyl)hept-1-ene
CID 10750743
(6S)-9-bromo-6-methylnon-1-ene
CID 10943964
7-Bromo-5-methylhept-1-ene
CID 15176373
3-(Bromomethyl)-2-methyl-1,6-heptadiene
CID 15714449

Frequently Asked Questions

What is the IUPAC name of 4-bromo-4-propylhepta-1,6-diene?
The IUPAC name of 4-bromo-4-propylhepta-1,6-diene (CID 102247651) is 4-bromo-4-propylhepta-1,6-diene.
What is the SMILES notation for 4-bromo-4-propylhepta-1,6-diene?
The canonical SMILES for 4-bromo-4-propylhepta-1,6-diene is C=CCC(Br)(CC=C)CCC.
What is the InChIKey of 4-bromo-4-propylhepta-1,6-diene?
The InChIKey is UHXOQKQNCGSOJQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H17Br/c1-4-7-10(11,8-5-2)9-6-3/h4-5H,1-2,6-9H2,3H3.
What are the key properties of 4-bromo-4-propylhepta-1,6-diene?
4-bromo-4-propylhepta-1,6-diene has a molecular weight of 217.15 g/mol, XLogP of 4.07, 6 rotatable bonds, 0 hydrogen bond donors, and 0 hydrogen bond acceptors.
Where does this data come from?
All data for 4-bromo-4-propylhepta-1,6-diene is sourced from PubChem (CID 102247651), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).