8-bromo-7-chlorooct-1-ene

C8H14BrCl — CID 141314878

IUPAC8-bromo-7-chlorooct-1-ene
SMILESC=CCCCCC(Cl)CBr
InChIInChI=1S/C8H14BrCl/c1-2-3-4-5-6-8(10)7-9/h2,8H,1,3-7H2
InChIKeyHTPSWBALCMZQHX-UHFFFAOYSA-N
MW225.56 g/mol
LogP3.74
Rot. Bonds6

About 8-bromo-7-chlorooct-1-ene

8-bromo-7-chlorooct-1-ene (PubChem CID 141314878) has the molecular formula C8H14BrCl and a molecular weight of 225.56 g/mol. Its IUPAC name is 8-bromo-7-chlorooct-1-ene.

Molecular Properties

Compound Name8-bromo-7-chlorooct-1-ene
PubChem CID141314878
Molecular FormulaC8H14BrCl
Molecular Weight225.56 g/mol
Exact Mass224.00
IUPAC Name8-bromo-7-chlorooct-1-ene
SMILESC=CCCCCC(Cl)CBr
InChIInChI=1S/C8H14BrCl/c1-2-3-4-5-6-8(10)7-9/h2,8H,1,3-7H2
InChIKeyHTPSWBALCMZQHX-UHFFFAOYSA-N
XLogP3.74
TPSA0.00 Ų
H-Bond Donors
H-Bond Acceptors
Rotatable Bonds6
Heavy Atoms10
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500225.56
LogP ≤ 53.74
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'}

Analyze 8-bromo-7-chlorooct-1-ene with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

8-chlorodec-1-ene
CID 64507974
7,9,9,9-tetrachloronon-1-ene
CID 71386066
1-bromooct-7-en-2-ol
CID 12003548
(8S)-9-bromo-8-methylnon-1-ene
CID 125475999
11-bromohenicosa-1,20-diene
CID 102253799
7,9-dibromonon-1-ene
CID 15155894
1-chlorohept-6-enylboronic acid
CID 87720455
13-pent-4-enylheptacosa-1,26-diene
CID 91232021
heptadeca-1,16-diene
CID 6429392
heptacosa-1,26-diene
CID 58905535
26-methylheptacos-1-ene
CID 154926473
25-methylhexacos-1-ene
CID 141407501

Frequently Asked Questions

What is the IUPAC name of 8-bromo-7-chlorooct-1-ene?
The IUPAC name of 8-bromo-7-chlorooct-1-ene (CID 141314878) is 8-bromo-7-chlorooct-1-ene.
What is the SMILES notation for 8-bromo-7-chlorooct-1-ene?
The canonical SMILES for 8-bromo-7-chlorooct-1-ene is C=CCCCCC(Cl)CBr.
What is the InChIKey of 8-bromo-7-chlorooct-1-ene?
The InChIKey is HTPSWBALCMZQHX-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H14BrCl/c1-2-3-4-5-6-8(10)7-9/h2,8H,1,3-7H2.
What are the key properties of 8-bromo-7-chlorooct-1-ene?
8-bromo-7-chlorooct-1-ene has a molecular weight of 225.56 g/mol, XLogP of 3.74, 6 rotatable bonds, 0 hydrogen bond donors, and 0 hydrogen bond acceptors.
Where does this data come from?
All data for 8-bromo-7-chlorooct-1-ene is sourced from PubChem (CID 141314878), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).