[(Z)-2,2-dimethyloct-3-en-3-yl]-bis(3-methylbutan-2-yl)borane

C20H41B — CID 134903580

IUPAC[(Z)-2,2-dimethyloct-3-en-3-yl]-bis(3-methylbutan-2-yl)borane
SMILESCCCC/C=C(/B(C(C)C(C)C)C(C)C(C)C)C(C)(C)C
InChIInChI=1S/C20H41B/c1-11-12-13-14-19(20(8,9)10)21(17(6)15(2)3)18(7)16(4)5/h14-18H,11-13H2,1-10H3/b19-14+
InChIKeyOTLOADHJKIRDRY-XMHGGMMESA-N
MW292.36 g/mol
LogP7.28
Rot. Bonds8

About [(Z)-2,2-dimethyloct-3-en-3-yl]-bis(3-methylbutan-2-yl)borane

[(Z)-2,2-dimethyloct-3-en-3-yl]-bis(3-methylbutan-2-yl)borane (PubChem CID 134903580) has the molecular formula C20H41B and a molecular weight of 292.36 g/mol. Its IUPAC name is [(Z)-2,2-dimethyloct-3-en-3-yl]-bis(3-methylbutan-2-yl)borane.

Molecular Properties

Compound Name[(Z)-2,2-dimethyloct-3-en-3-yl]-bis(3-methylbutan-2-yl)borane
PubChem CID134903580
Molecular FormulaC20H41B
Molecular Weight292.36 g/mol
Exact Mass292.33
IUPAC Name[(Z)-2,2-dimethyloct-3-en-3-yl]-bis(3-methylbutan-2-yl)borane
SMILESCCCC/C=C(/B(C(C)C(C)C)C(C)C(C)C)C(C)(C)C
InChIInChI=1S/C20H41B/c1-11-12-13-14-19(20(8,9)10)21(17(6)15(2)3)18(7)16(4)5/h14-18H,11-13H2,1-10H3/b19-14+
InChIKeyOTLOADHJKIRDRY-XMHGGMMESA-N
XLogP7.28
TPSA0.00 Ų
H-Bond Donors
H-Bond Acceptors
Rotatable Bonds8
Heavy Atoms21
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500292.36
LogP ≤ 57.28
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

bis(1,2-dimethylpropyl)[(1Z)-1-ethyl-1-butenyl]borane
CID 15680552
bis(1,2-dimethylpropyl)[(2E)-2-octenyl]borane
CID 24972487
bis(1,2-dimethylpropyl)[(2E)-2-heptenyl]borane
CID 24974325
Bis(3-methylbutan-2-yl)-(7-methyl-3-methylideneoct-6-enyl)borane
CID 86231855
[(3E)-4,8-dimethylnona-3,7-dienyl]-bis(3-methylbutan-2-yl)borane
CID 134881357
bis(3-methylbutan-2-yl)-[(Z)-non-5-en-4-yl]borane
CID 134903576
[(Z)-2,2-dimethyloct-3-en-4-yl]-bis(3-methylbutan-2-yl)borane
CID 134903581
bis(3-methylbutan-2-yl)-[(E)-non-5-en-4-yl]borane
CID 134903608
[(Z)-4,4-dimethylpent-2-en-2-yl]-bis(3-methylbutan-2-yl)borane
CID 134903630
[(Z)-hex-2-en-2-yl]-bis(3-methylbutan-2-yl)borane
CID 134903631
bis(3-methylbutan-2-yl)-[(Z)-2,2,5-trimethylhex-3-en-3-yl]borane
CID 134903656
bis(3-methylbutan-2-yl)-[(Z)-4-methylpent-2-en-3-yl]borane
CID 134903720

Frequently Asked Questions

What is the IUPAC name of [(Z)-2,2-dimethyloct-3-en-3-yl]-bis(3-methylbutan-2-yl)borane?
The IUPAC name of [(Z)-2,2-dimethyloct-3-en-3-yl]-bis(3-methylbutan-2-yl)borane (CID 134903580) is [(Z)-2,2-dimethyloct-3-en-3-yl]-bis(3-methylbutan-2-yl)borane.
What is the SMILES notation for [(Z)-2,2-dimethyloct-3-en-3-yl]-bis(3-methylbutan-2-yl)borane?
The canonical SMILES for [(Z)-2,2-dimethyloct-3-en-3-yl]-bis(3-methylbutan-2-yl)borane is CCCC/C=C(/B(C(C)C(C)C)C(C)C(C)C)C(C)(C)C.
What is the InChIKey of [(Z)-2,2-dimethyloct-3-en-3-yl]-bis(3-methylbutan-2-yl)borane?
The InChIKey is OTLOADHJKIRDRY-XMHGGMMESA-N. The full InChI is InChI=1S/C20H41B/c1-11-12-13-14-19(20(8,9)10)21(17(6)15(2)3)18(7)16(4)5/h14-18H,11-13H2,1-10H3/b19-14+.
What are the key properties of [(Z)-2,2-dimethyloct-3-en-3-yl]-bis(3-methylbutan-2-yl)borane?
[(Z)-2,2-dimethyloct-3-en-3-yl]-bis(3-methylbutan-2-yl)borane has a molecular weight of 292.36 g/mol, XLogP of 7.28, 8 rotatable bonds, 0 hydrogen bond donors, and 0 hydrogen bond acceptors.
Where does this data come from?
All data for [(Z)-2,2-dimethyloct-3-en-3-yl]-bis(3-methylbutan-2-yl)borane is sourced from PubChem (CID 134903580), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).