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

C16H33B — CID 134903721

IUPACbis(3-methylbutan-2-yl)-[(Z)-4-methylpent-2-en-2-yl]borane
SMILESC/C(=C\C(C)C)B(C(C)C(C)C)C(C)C(C)C
InChIInChI=1S/C16H33B/c1-11(2)10-14(7)17(15(8)12(3)4)16(9)13(5)6/h10-13,15-16H,1-9H3/b14-10+
InChIKeyDLUMAVZTCMXFCR-GXDHUFHOSA-N
MW236.25 g/mol
LogP5.71
Rot. Bonds6

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

bis(3-methylbutan-2-yl)-[(Z)-4-methylpent-2-en-2-yl]borane (PubChem CID 134903721) has the molecular formula C16H33B and a molecular weight of 236.25 g/mol. Its IUPAC name is bis(3-methylbutan-2-yl)-[(Z)-4-methylpent-2-en-2-yl]borane.

Molecular Properties

Compound Namebis(3-methylbutan-2-yl)-[(Z)-4-methylpent-2-en-2-yl]borane
PubChem CID134903721
Molecular FormulaC16H33B
Molecular Weight236.25 g/mol
Exact Mass236.27
IUPAC Namebis(3-methylbutan-2-yl)-[(Z)-4-methylpent-2-en-2-yl]borane
SMILESC/C(=C\C(C)C)B(C(C)C(C)C)C(C)C(C)C
InChIInChI=1S/C16H33B/c1-11(2)10-14(7)17(15(8)12(3)4)16(9)13(5)6/h10-13,15-16H,1-9H3/b14-10+
InChIKeyDLUMAVZTCMXFCR-GXDHUFHOSA-N
XLogP5.71
TPSA0.00 Ų
H-Bond Donors
H-Bond Acceptors
Rotatable Bonds6
Heavy Atoms17
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500236.25
LogP ≤ 55.71
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
(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-2-en-3-yl-bis(3-methylbutan-2-yl)borane
CID 12498152
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 bis(3-methylbutan-2-yl)-[(Z)-4-methylpent-2-en-2-yl]borane?
The IUPAC name of bis(3-methylbutan-2-yl)-[(Z)-4-methylpent-2-en-2-yl]borane (CID 134903721) is bis(3-methylbutan-2-yl)-[(Z)-4-methylpent-2-en-2-yl]borane.
What is the SMILES notation for bis(3-methylbutan-2-yl)-[(Z)-4-methylpent-2-en-2-yl]borane?
The canonical SMILES for bis(3-methylbutan-2-yl)-[(Z)-4-methylpent-2-en-2-yl]borane is C/C(=C\C(C)C)B(C(C)C(C)C)C(C)C(C)C.
What is the InChIKey of bis(3-methylbutan-2-yl)-[(Z)-4-methylpent-2-en-2-yl]borane?
The InChIKey is DLUMAVZTCMXFCR-GXDHUFHOSA-N. The full InChI is InChI=1S/C16H33B/c1-11(2)10-14(7)17(15(8)12(3)4)16(9)13(5)6/h10-13,15-16H,1-9H3/b14-10+.
What are the key properties of bis(3-methylbutan-2-yl)-[(Z)-4-methylpent-2-en-2-yl]borane?
bis(3-methylbutan-2-yl)-[(Z)-4-methylpent-2-en-2-yl]borane has a molecular weight of 236.25 g/mol, XLogP of 5.71, 6 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)-4-methylpent-2-en-2-yl]borane is sourced from PubChem (CID 134903721), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).