1-bromohex-1-enyl(dihexyl)borane

C18H36BBr — CID 54427256

IUPAC1-bromohex-1-enyl(dihexyl)borane
SMILESCCCCC=C(Br)B(CCCCCC)CCCCCC
InChIInChI=1S/C18H36BBr/c1-4-7-10-13-16-19(17-14-11-8-5-2)18(20)15-12-9-6-3/h15H,4-14,16-17H2,1-3H3
InChIKeyWEYWPMUASFTVKM-UHFFFAOYSA-N
MW343.20 g/mol
LogP7.65
Rot. Bonds14

About 1-bromohex-1-enyl(dihexyl)borane

1-bromohex-1-enyl(dihexyl)borane (PubChem CID 54427256) has the molecular formula C18H36BBr and a molecular weight of 343.20 g/mol. Its IUPAC name is 1-bromohex-1-enyl(dihexyl)borane.

Molecular Properties

Compound Name1-bromohex-1-enyl(dihexyl)borane
PubChem CID54427256
Molecular FormulaC18H36BBr
Molecular Weight343.20 g/mol
Exact Mass342.21
IUPAC Name1-bromohex-1-enyl(dihexyl)borane
SMILESCCCCC=C(Br)B(CCCCCC)CCCCCC
InChIInChI=1S/C18H36BBr/c1-4-7-10-13-16-19(17-14-11-8-5-2)18(20)15-12-9-6-3/h15H,4-14,16-17H2,1-3H3
InChIKeyWEYWPMUASFTVKM-UHFFFAOYSA-N
XLogP7.65
TPSA0.00 Ų
H-Bond Donors
H-Bond Acceptors
Rotatable Bonds14
Heavy Atoms20
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500343.20
LogP ≤ 57.65
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 100

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of 1-bromohex-1-enyl(dihexyl)borane?
The IUPAC name of 1-bromohex-1-enyl(dihexyl)borane (CID 54427256) is 1-bromohex-1-enyl(dihexyl)borane.
What is the SMILES notation for 1-bromohex-1-enyl(dihexyl)borane?
The canonical SMILES for 1-bromohex-1-enyl(dihexyl)borane is CCCCC=C(Br)B(CCCCCC)CCCCCC.
What is the InChIKey of 1-bromohex-1-enyl(dihexyl)borane?
The InChIKey is WEYWPMUASFTVKM-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H36BBr/c1-4-7-10-13-16-19(17-14-11-8-5-2)18(20)15-12-9-6-3/h15H,4-14,16-17H2,1-3H3.
What are the key properties of 1-bromohex-1-enyl(dihexyl)borane?
1-bromohex-1-enyl(dihexyl)borane has a molecular weight of 343.20 g/mol, XLogP of 7.65, 14 rotatable bonds, 0 hydrogen bond donors, and 0 hydrogen bond acceptors.
Where does this data come from?
All data for 1-bromohex-1-enyl(dihexyl)borane is sourced from PubChem (CID 54427256), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).