dihexyl-[(Z)-oct-4-en-4-yl]borane

C20H41B — CID 12885176

IUPACdihexyl-[(Z)-oct-4-en-4-yl]borane
SMILESCCC/C=C(\CCC)B(CCCCCC)CCCCCC
InChIInChI=1S/C20H41B/c1-5-9-12-14-18-21(19-15-13-10-6-2)20(16-8-4)17-11-7-3/h17H,5-16,18-19H2,1-4H3/b20-17+
InChIKeyAEJLYNVAVJHSHR-LVZFUZTISA-N
MW292.36 g/mol
LogP7.71
Rot. Bonds15

About dihexyl-[(Z)-oct-4-en-4-yl]borane

dihexyl-[(Z)-oct-4-en-4-yl]borane (PubChem CID 12885176) has the molecular formula C20H41B and a molecular weight of 292.36 g/mol. Its IUPAC name is dihexyl-[(Z)-oct-4-en-4-yl]borane.

Molecular Properties

Compound Namedihexyl-[(Z)-oct-4-en-4-yl]borane
PubChem CID12885176
Molecular FormulaC20H41B
Molecular Weight292.36 g/mol
Exact Mass292.33
IUPAC Namedihexyl-[(Z)-oct-4-en-4-yl]borane
SMILESCCC/C=C(\CCC)B(CCCCCC)CCCCCC
InChIInChI=1S/C20H41B/c1-5-9-12-14-18-21(19-15-13-10-6-2)20(16-8-4)17-11-7-3/h17H,5-16,18-19H2,1-4H3/b20-17+
InChIKeyAEJLYNVAVJHSHR-LVZFUZTISA-N
XLogP7.71
TPSA0.00 Ų
H-Bond Donors
H-Bond Acceptors
Rotatable Bonds15
Heavy Atoms21
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500292.36
LogP ≤ 57.71
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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Related Compounds

(6Z,9Z,12Z,15Z,18Z)-1,6,9,12,15,18-Henicosahexaene
CID 11460308
(6Z,9Z,12Z,15Z)-1,6,9,12,15-Henicosapentaene
CID 21597700
6Z,9Z,12Z-Octadecatriene
CID 21629432
cis-3,6,9,12,15-Heneicosapentaene
CID 91750519
4Z,8Z,11Z-Heptadecatriene
CID 56936134
6Z,9Z,12Z-Heptadecatriene
CID 56936135
6Z,9Z,12Z-Nonadecatriene
CID 56936137
(5Z,8Z,11Z,14Z)-icosa-5,8,11,14-tetraene
CID 16019988
(6Z,9Z,12Z,15Z)-henicosa-6,9,12,15-tetraene
CID 21629433
1,6,9,12,15-Heneicosapentaene
CID 54438601
1,6,9,12,15,18-Heneicosahexaene
CID 72970257
6,9,12,15-Heneicosatetraene
CID 73814344

Frequently Asked Questions

What is the IUPAC name of dihexyl-[(Z)-oct-4-en-4-yl]borane?
The IUPAC name of dihexyl-[(Z)-oct-4-en-4-yl]borane (CID 12885176) is dihexyl-[(Z)-oct-4-en-4-yl]borane.
What is the SMILES notation for dihexyl-[(Z)-oct-4-en-4-yl]borane?
The canonical SMILES for dihexyl-[(Z)-oct-4-en-4-yl]borane is CCC/C=C(\CCC)B(CCCCCC)CCCCCC.
What is the InChIKey of dihexyl-[(Z)-oct-4-en-4-yl]borane?
The InChIKey is AEJLYNVAVJHSHR-LVZFUZTISA-N. The full InChI is InChI=1S/C20H41B/c1-5-9-12-14-18-21(19-15-13-10-6-2)20(16-8-4)17-11-7-3/h17H,5-16,18-19H2,1-4H3/b20-17+.
What are the key properties of dihexyl-[(Z)-oct-4-en-4-yl]borane?
dihexyl-[(Z)-oct-4-en-4-yl]borane has a molecular weight of 292.36 g/mol, XLogP of 7.71, 15 rotatable bonds, 0 hydrogen bond donors, and 0 hydrogen bond acceptors.
Where does this data come from?
All data for dihexyl-[(Z)-oct-4-en-4-yl]borane is sourced from PubChem (CID 12885176), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).