bis(3-methylbutan-2-yl)-[(Z)-non-5-en-4-yl]borane

C19H39B — CID 134903576

IUPACbis(3-methylbutan-2-yl)-[(Z)-non-5-en-4-yl]borane
SMILESCCC/C=C\C(CCC)B(C(C)C(C)C)C(C)C(C)C
InChIInChI=1S/C19H39B/c1-9-11-12-14-19(13-10-2)20(17(7)15(3)4)18(8)16(5)6/h12,14-19H,9-11,13H2,1-8H3/b14-12-
InChIKeyGNXDSGYREUDWOA-OWBHPGMISA-N
MW278.33 g/mol
LogP7.10
Rot. Bonds10

About bis(3-methylbutan-2-yl)-[(Z)-non-5-en-4-yl]borane

bis(3-methylbutan-2-yl)-[(Z)-non-5-en-4-yl]borane (PubChem CID 134903576) has the molecular formula C19H39B and a molecular weight of 278.33 g/mol. Its IUPAC name is bis(3-methylbutan-2-yl)-[(Z)-non-5-en-4-yl]borane.

Molecular Properties

Compound Namebis(3-methylbutan-2-yl)-[(Z)-non-5-en-4-yl]borane
PubChem CID134903576
Molecular FormulaC19H39B
Molecular Weight278.33 g/mol
Exact Mass278.31
IUPAC Namebis(3-methylbutan-2-yl)-[(Z)-non-5-en-4-yl]borane
SMILESCCC/C=C\C(CCC)B(C(C)C(C)C)C(C)C(C)C
InChIInChI=1S/C19H39B/c1-9-11-12-14-19(13-10-2)20(17(7)15(3)4)18(8)16(5)6/h12,14-19H,9-11,13H2,1-8H3/b14-12-
InChIKeyGNXDSGYREUDWOA-OWBHPGMISA-N
XLogP7.10
TPSA0.00 Ų
H-Bond Donors
H-Bond Acceptors
Rotatable Bonds10
Heavy Atoms20
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500278.33
LogP ≤ 57.10
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 100

Computed Properties (RDKit)

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

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Related Compounds

4-Nonene, 2-methyl-
CID 5364592
(4Z)-3-Methyl-4-nonene
CID 5364641
4-Nonene, 2-methyl-, (Z)-
CID 5364875
Di(1-isopropyl-3-methylbut-2-enyl)borane
CID 11310858
(E)-2-Methylhexadec-4-ene
CID 20344604
3,7,11,15-Tetramethylhexadeca-1,6,10,14-tetraene
CID 22768385
(9E)-2,6,11,15-tetramethylhexadeca-2,6,9,14-tetraene
CID 53814378
(9E)-2,6,11,15,19-pentamethylicosa-2,6,9,14,18-pentaene
CID 54038211
CID 54442023
CID 54442023
2,6,10,15,19,23-Hexamethyl 2,6,10,14,18,20-tetracosahexaene
CID 129727132
2-Methylnon-4-ene
CID 543685
4-Nonene, 3-methyl-, (Z)-
CID 543797

Frequently Asked Questions

What is the IUPAC name of bis(3-methylbutan-2-yl)-[(Z)-non-5-en-4-yl]borane?
The IUPAC name of bis(3-methylbutan-2-yl)-[(Z)-non-5-en-4-yl]borane (CID 134903576) is bis(3-methylbutan-2-yl)-[(Z)-non-5-en-4-yl]borane.
What is the SMILES notation for bis(3-methylbutan-2-yl)-[(Z)-non-5-en-4-yl]borane?
The canonical SMILES for bis(3-methylbutan-2-yl)-[(Z)-non-5-en-4-yl]borane is CCC/C=C\C(CCC)B(C(C)C(C)C)C(C)C(C)C.
What is the InChIKey of bis(3-methylbutan-2-yl)-[(Z)-non-5-en-4-yl]borane?
The InChIKey is GNXDSGYREUDWOA-OWBHPGMISA-N. The full InChI is InChI=1S/C19H39B/c1-9-11-12-14-19(13-10-2)20(17(7)15(3)4)18(8)16(5)6/h12,14-19H,9-11,13H2,1-8H3/b14-12-.
What are the key properties of bis(3-methylbutan-2-yl)-[(Z)-non-5-en-4-yl]borane?
bis(3-methylbutan-2-yl)-[(Z)-non-5-en-4-yl]borane has a molecular weight of 278.33 g/mol, XLogP of 7.10, 10 rotatable bonds, 0 hydrogen bond donors, and 0 hydrogen bond acceptors.
Where does this data come from?
All data for bis(3-methylbutan-2-yl)-[(Z)-non-5-en-4-yl]borane is sourced from PubChem (CID 134903576), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).