7-bromo-6-(2-bromoethyl)oct-1-ene

C10H18Br2 — CID 130382702

IUPAC7-bromo-6-(2-bromoethyl)oct-1-ene
SMILESC=CCCCC(CCBr)C(C)Br
InChIInChI=1S/C10H18Br2/c1-3-4-5-6-10(7-8-11)9(2)12/h3,9-10H,1,4-8H2,2H3
InChIKeyYMYZMDSCYDVAKO-UHFFFAOYSA-N
MW298.06 g/mol
LogP4.53
Rot. Bonds7

About 7-bromo-6-(2-bromoethyl)oct-1-ene

7-bromo-6-(2-bromoethyl)oct-1-ene (PubChem CID 130382702) has the molecular formula C10H18Br2 and a molecular weight of 298.06 g/mol. Its IUPAC name is 7-bromo-6-(2-bromoethyl)oct-1-ene.

Molecular Properties

Compound Name7-bromo-6-(2-bromoethyl)oct-1-ene
PubChem CID130382702
Molecular FormulaC10H18Br2
Molecular Weight298.06 g/mol
Exact Mass295.98
IUPAC Name7-bromo-6-(2-bromoethyl)oct-1-ene
SMILESC=CCCCC(CCBr)C(C)Br
InChIInChI=1S/C10H18Br2/c1-3-4-5-6-10(7-8-11)9(2)12/h3,9-10H,1,4-8H2,2H3
InChIKeyYMYZMDSCYDVAKO-UHFFFAOYSA-N
XLogP4.53
TPSA0.00 Ų
H-Bond Donors
H-Bond Acceptors
Rotatable Bonds7
Heavy Atoms12
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500298.06
LogP ≤ 54.53
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

6-bromohept-1-ene
CID 12722403
7,9-dibromonon-1-ene
CID 15155894
12-propan-2-yltricosa-1,22-diene
CID 102161324
(8S)-9-bromo-8-methylnon-1-ene
CID 125475999
6-(bromomethyl)-7,7-dimethyloct-1-ene
CID 165446936
7,9-dimethyl-6-propyldodec-1-ene
CID 123995288
6-bromo-5-methylsulfonylhept-1-ene
CID 11276859
25-methylhexacos-1-ene
CID 141407501
11-bromohenicosa-1,20-diene
CID 102253799
26-methylheptacos-1-ene
CID 154926473
6-(1-methylsulfonylethyl)non-1-ene
CID 89023044
2-(2-but-3-en-2-ylhept-6-enyl)propanedioic acid
CID 91613990

Frequently Asked Questions

What is the IUPAC name of 7-bromo-6-(2-bromoethyl)oct-1-ene?
The IUPAC name of 7-bromo-6-(2-bromoethyl)oct-1-ene (CID 130382702) is 7-bromo-6-(2-bromoethyl)oct-1-ene.
What is the SMILES notation for 7-bromo-6-(2-bromoethyl)oct-1-ene?
The canonical SMILES for 7-bromo-6-(2-bromoethyl)oct-1-ene is C=CCCCC(CCBr)C(C)Br.
What is the InChIKey of 7-bromo-6-(2-bromoethyl)oct-1-ene?
The InChIKey is YMYZMDSCYDVAKO-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H18Br2/c1-3-4-5-6-10(7-8-11)9(2)12/h3,9-10H,1,4-8H2,2H3.
What are the key properties of 7-bromo-6-(2-bromoethyl)oct-1-ene?
7-bromo-6-(2-bromoethyl)oct-1-ene has a molecular weight of 298.06 g/mol, XLogP of 4.53, 7 rotatable bonds, 0 hydrogen bond donors, and 0 hydrogen bond acceptors.
Where does this data come from?
All data for 7-bromo-6-(2-bromoethyl)oct-1-ene is sourced from PubChem (CID 130382702), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).