[(E)-hept-2-enyl]-bis(3-methylbutan-2-yl)borane

C17H35B — CID 24974325

IUPAC[(E)-hept-2-enyl]-bis(3-methylbutan-2-yl)borane
SMILESCCCC/C=C/CB(C(C)C(C)C)C(C)C(C)C
InChIInChI=1S/C17H35B/c1-8-9-10-11-12-13-18(16(6)14(2)3)17(7)15(4)5/h11-12,14-17H,8-10,13H2,1-7H3/b12-11+
InChIKeyJNZVNANNTCQMBV-VAWYXSNFSA-N
MW250.28 g/mol
LogP6.32
Rot. Bonds9

About [(E)-hept-2-enyl]-bis(3-methylbutan-2-yl)borane

[(E)-hept-2-enyl]-bis(3-methylbutan-2-yl)borane (PubChem CID 24974325) has the molecular formula C17H35B and a molecular weight of 250.28 g/mol. Its IUPAC name is [(E)-hept-2-enyl]-bis(3-methylbutan-2-yl)borane.

Molecular Properties

Compound Name[(E)-hept-2-enyl]-bis(3-methylbutan-2-yl)borane
PubChem CID24974325
Molecular FormulaC17H35B
Molecular Weight250.28 g/mol
Exact Mass250.28
IUPAC Name[(E)-hept-2-enyl]-bis(3-methylbutan-2-yl)borane
SMILESCCCC/C=C/CB(C(C)C(C)C)C(C)C(C)C
InChIInChI=1S/C17H35B/c1-8-9-10-11-12-13-18(16(6)14(2)3)17(7)15(4)5/h11-12,14-17H,8-10,13H2,1-7H3/b12-11+
InChIKeyJNZVNANNTCQMBV-VAWYXSNFSA-N
XLogP6.32
TPSA0.00 Ų
H-Bond Donors
H-Bond Acceptors
Rotatable Bonds9
Heavy Atoms18
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500250.28
LogP ≤ 56.32
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'}, {'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 [(E)-hept-2-enyl]-bis(3-methylbutan-2-yl)borane?
The IUPAC name of [(E)-hept-2-enyl]-bis(3-methylbutan-2-yl)borane (CID 24974325) is [(E)-hept-2-enyl]-bis(3-methylbutan-2-yl)borane.
What is the SMILES notation for [(E)-hept-2-enyl]-bis(3-methylbutan-2-yl)borane?
The canonical SMILES for [(E)-hept-2-enyl]-bis(3-methylbutan-2-yl)borane is CCCC/C=C/CB(C(C)C(C)C)C(C)C(C)C.
What is the InChIKey of [(E)-hept-2-enyl]-bis(3-methylbutan-2-yl)borane?
The InChIKey is JNZVNANNTCQMBV-VAWYXSNFSA-N. The full InChI is InChI=1S/C17H35B/c1-8-9-10-11-12-13-18(16(6)14(2)3)17(7)15(4)5/h11-12,14-17H,8-10,13H2,1-7H3/b12-11+.
What are the key properties of [(E)-hept-2-enyl]-bis(3-methylbutan-2-yl)borane?
[(E)-hept-2-enyl]-bis(3-methylbutan-2-yl)borane has a molecular weight of 250.28 g/mol, XLogP of 6.32, 9 rotatable bonds, 0 hydrogen bond donors, and 0 hydrogen bond acceptors.
Where does this data come from?
All data for [(E)-hept-2-enyl]-bis(3-methylbutan-2-yl)borane is sourced from PubChem (CID 24974325), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).