1-bromo-12-chlorododeca-2,10-diene

C12H20BrCl — CID 74322485

IUPAC1-bromo-12-chlorododeca-2,10-diene
SMILESClCC=CCCCCCCC=CCBr
InChIInChI=1S/C12H20BrCl/c13-11-9-7-5-3-1-2-4-6-8-10-12-14/h7-10H,1-6,11-12H2
InChIKeyDJJHQBLNFXHIEU-UHFFFAOYSA-N
MW279.65 g/mol
LogP5.07
Rot. Bonds9

About 1-bromo-12-chlorododeca-2,10-diene

1-bromo-12-chlorododeca-2,10-diene (PubChem CID 74322485) has the molecular formula C12H20BrCl and a molecular weight of 279.65 g/mol. Its IUPAC name is 1-bromo-12-chlorododeca-2,10-diene.

Molecular Properties

Compound Name1-bromo-12-chlorododeca-2,10-diene
PubChem CID74322485
Molecular FormulaC12H20BrCl
Molecular Weight279.65 g/mol
Exact Mass278.04
IUPAC Name1-bromo-12-chlorododeca-2,10-diene
SMILESClCC=CCCCCCCC=CCBr
InChIInChI=1S/C12H20BrCl/c13-11-9-7-5-3-1-2-4-6-8-10-12-14/h7-10H,1-6,11-12H2
InChIKeyDJJHQBLNFXHIEU-UHFFFAOYSA-N
XLogP5.07
TPSA0.00 Ų
H-Bond Donors
H-Bond Acceptors
Rotatable Bonds9
Heavy Atoms14
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500279.65
LogP ≤ 55.07
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 100

Computed Properties (RDKit)

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

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Related Compounds

1,12-dichlorododec-2-ene
CID 171472140
1,12-dibromododec-2-ene
CID 54440565
6-bromo-1-chlorohex-2-ene
CID 171472345
1,7-dibromohept-2-ene
CID 171472304
1-bromonon-2-ene
CID 54029005
1-bromononadec-2-ene
CID 174854290
1-chloro-12-iodododec-2-ene
CID 171472192
1-chlorotritriacont-2-ene
CID 173457844
bis(8-chlorooct-6-enyl)-oxotin
CID 71334265
1,25-dibromopentacos-12-ene
CID 168864699
1,17-dichloroheptadec-8-ene
CID 168864753
(E)-11-chloroundec-9-enoic acid
CID 134246833

Frequently Asked Questions

What is the IUPAC name of 1-bromo-12-chlorododeca-2,10-diene?
The IUPAC name of 1-bromo-12-chlorododeca-2,10-diene (CID 74322485) is 1-bromo-12-chlorododeca-2,10-diene.
What is the SMILES notation for 1-bromo-12-chlorododeca-2,10-diene?
The canonical SMILES for 1-bromo-12-chlorododeca-2,10-diene is ClCC=CCCCCCCC=CCBr.
What is the InChIKey of 1-bromo-12-chlorododeca-2,10-diene?
The InChIKey is DJJHQBLNFXHIEU-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H20BrCl/c13-11-9-7-5-3-1-2-4-6-8-10-12-14/h7-10H,1-6,11-12H2.
What are the key properties of 1-bromo-12-chlorododeca-2,10-diene?
1-bromo-12-chlorododeca-2,10-diene has a molecular weight of 279.65 g/mol, XLogP of 5.07, 9 rotatable bonds, 0 hydrogen bond donors, and 0 hydrogen bond acceptors.
Where does this data come from?
All data for 1-bromo-12-chlorododeca-2,10-diene is sourced from PubChem (CID 74322485), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).