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

C16H33B — CID 134903631

IUPAC[(Z)-hex-2-en-2-yl]-bis(3-methylbutan-2-yl)borane
SMILESCCC/C=C(\C)B(C(C)C(C)C)C(C)C(C)C
InChIInChI=1S/C16H33B/c1-9-10-11-14(6)17(15(7)12(2)3)16(8)13(4)5/h11-13,15-16H,9-10H2,1-8H3/b14-11+
InChIKeyZNPDSIXWCZASBJ-SDNWHVSQSA-N
MW236.25 g/mol
LogP5.86
Rot. Bonds7

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

[(Z)-hex-2-en-2-yl]-bis(3-methylbutan-2-yl)borane (PubChem CID 134903631) has the molecular formula C16H33B and a molecular weight of 236.25 g/mol. Its IUPAC name is [(Z)-hex-2-en-2-yl]-bis(3-methylbutan-2-yl)borane.

Molecular Properties

Compound Name[(Z)-hex-2-en-2-yl]-bis(3-methylbutan-2-yl)borane
PubChem CID134903631
Molecular FormulaC16H33B
Molecular Weight236.25 g/mol
Exact Mass236.27
IUPAC Name[(Z)-hex-2-en-2-yl]-bis(3-methylbutan-2-yl)borane
SMILESCCC/C=C(\C)B(C(C)C(C)C)C(C)C(C)C
InChIInChI=1S/C16H33B/c1-9-10-11-14(6)17(15(7)12(2)3)16(8)13(4)5/h11-13,15-16H,9-10H2,1-8H3/b14-11+
InChIKeyZNPDSIXWCZASBJ-SDNWHVSQSA-N
XLogP5.86
TPSA0.00 Ų
H-Bond Donors
H-Bond Acceptors
Rotatable Bonds7
Heavy Atoms17
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500236.25
LogP ≤ 55.86
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 100

Computed Properties (RDKit)

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

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Related Compounds

Di(1-isopropyl-3-methylbut-2-enyl)borane
CID 11310858
(Isopropylprenyl)borane
CID 132990933
(Z)-hex-3-ene;(E)-hex-3-ene;3-methylpent-1-ene
CID 160824925
tris[(Z)-oct-4-en-4-yl]borane
CID 11121487
Tris[(1Z)-1-ethyl-1-buten-1-yl]borane
CID 11139842
2,4-Dimethylpent-3-en-2-yl-bis(3-methylbutan-2-yl)borane
CID 12498153
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
2,3-Dimethylbutan-2-yl-bis(4-methylpent-3-enyl)borane
CID 134890689

Frequently Asked Questions

What is the IUPAC name of [(Z)-hex-2-en-2-yl]-bis(3-methylbutan-2-yl)borane?
The IUPAC name of [(Z)-hex-2-en-2-yl]-bis(3-methylbutan-2-yl)borane (CID 134903631) is [(Z)-hex-2-en-2-yl]-bis(3-methylbutan-2-yl)borane.
What is the SMILES notation for [(Z)-hex-2-en-2-yl]-bis(3-methylbutan-2-yl)borane?
The canonical SMILES for [(Z)-hex-2-en-2-yl]-bis(3-methylbutan-2-yl)borane is CCC/C=C(\C)B(C(C)C(C)C)C(C)C(C)C.
What is the InChIKey of [(Z)-hex-2-en-2-yl]-bis(3-methylbutan-2-yl)borane?
The InChIKey is ZNPDSIXWCZASBJ-SDNWHVSQSA-N. The full InChI is InChI=1S/C16H33B/c1-9-10-11-14(6)17(15(7)12(2)3)16(8)13(4)5/h11-13,15-16H,9-10H2,1-8H3/b14-11+.
What are the key properties of [(Z)-hex-2-en-2-yl]-bis(3-methylbutan-2-yl)borane?
[(Z)-hex-2-en-2-yl]-bis(3-methylbutan-2-yl)borane has a molecular weight of 236.25 g/mol, XLogP of 5.86, 7 rotatable bonds, 0 hydrogen bond donors, and 0 hydrogen bond acceptors.
Where does this data come from?
All data for [(Z)-hex-2-en-2-yl]-bis(3-methylbutan-2-yl)borane is sourced from PubChem (CID 134903631), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).