bis(3-methylbutan-2-yl)-(3-phenylprop-1-en-2-yl)borane

C19H31B — CID 134903913

IUPACbis(3-methylbutan-2-yl)-(3-phenylprop-1-en-2-yl)borane
SMILESC=C(Cc1ccccc1)B(C(C)C(C)C)C(C)C(C)C
InChIInChI=1S/C19H31B/c1-14(2)17(6)20(18(7)15(3)4)16(5)13-19-11-9-8-10-12-19/h8-12,14-15,17-18H,5,13H2,1-4,6-7H3
InChIKeyLOCWQBREDQYUPH-UHFFFAOYSA-N
MW270.27 g/mol
LogP5.91
Rot. Bonds7

About bis(3-methylbutan-2-yl)-(3-phenylprop-1-en-2-yl)borane

bis(3-methylbutan-2-yl)-(3-phenylprop-1-en-2-yl)borane (PubChem CID 134903913) has the molecular formula C19H31B and a molecular weight of 270.27 g/mol. Its IUPAC name is bis(3-methylbutan-2-yl)-(3-phenylprop-1-en-2-yl)borane.

Molecular Properties

Compound Namebis(3-methylbutan-2-yl)-(3-phenylprop-1-en-2-yl)borane
PubChem CID134903913
Molecular FormulaC19H31B
Molecular Weight270.27 g/mol
Exact Mass270.25
IUPAC Namebis(3-methylbutan-2-yl)-(3-phenylprop-1-en-2-yl)borane
SMILESC=C(Cc1ccccc1)B(C(C)C(C)C)C(C)C(C)C
InChIInChI=1S/C19H31B/c1-14(2)17(6)20(18(7)15(3)4)16(5)13-19-11-9-8-10-12-19/h8-12,14-15,17-18H,5,13H2,1-4,6-7H3
InChIKeyLOCWQBREDQYUPH-UHFFFAOYSA-N
XLogP5.91
TPSA0.00 Ų
H-Bond Donors
H-Bond Acceptors
Rotatable Bonds7
Heavy Atoms20
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500270.27
LogP ≤ 55.91
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

3-phenylprop-1-en-2-ylboronic acid
CID 139035247
2-methylidenebutylbenzene
CID 10964655
2-propan-2-yloxyprop-2-enylbenzene
CID 12057112
2,4-dibenzylpenta-1,4-dien-3-ol
CID 102034029
[(Z)-1-iodo-2-phenylethenyl]-bis(3-methylbutan-2-yl)borane
CID 102246923
(2S)-2-amino-3-methylbutanoic acid;2-phenylacetic acid
CID 67721375
trimethyl(3-phenylprop-1-en-2-yl)silane
CID 530293
5-benzyl-3-methylhex-5-en-2-one
CID 59397011
(3R)-N,3-dimethyl-4-phenylbut-1-en-2-amine
CID 142994243
[2-(dichloromethylidene)-3-methylbutyl]benzene
CID 173308340
ethane;2-methylpropylbenzene
CID 162200929
(3-methyl-2-propan-2-yloxybutyl)benzene
CID 3839106

Frequently Asked Questions

What is the IUPAC name of bis(3-methylbutan-2-yl)-(3-phenylprop-1-en-2-yl)borane?
The IUPAC name of bis(3-methylbutan-2-yl)-(3-phenylprop-1-en-2-yl)borane (CID 134903913) is bis(3-methylbutan-2-yl)-(3-phenylprop-1-en-2-yl)borane.
What is the SMILES notation for bis(3-methylbutan-2-yl)-(3-phenylprop-1-en-2-yl)borane?
The canonical SMILES for bis(3-methylbutan-2-yl)-(3-phenylprop-1-en-2-yl)borane is C=C(Cc1ccccc1)B(C(C)C(C)C)C(C)C(C)C.
What is the InChIKey of bis(3-methylbutan-2-yl)-(3-phenylprop-1-en-2-yl)borane?
The InChIKey is LOCWQBREDQYUPH-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H31B/c1-14(2)17(6)20(18(7)15(3)4)16(5)13-19-11-9-8-10-12-19/h8-12,14-15,17-18H,5,13H2,1-4,6-7H3.
What are the key properties of bis(3-methylbutan-2-yl)-(3-phenylprop-1-en-2-yl)borane?
bis(3-methylbutan-2-yl)-(3-phenylprop-1-en-2-yl)borane has a molecular weight of 270.27 g/mol, XLogP of 5.91, 7 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)-(3-phenylprop-1-en-2-yl)borane is sourced from PubChem (CID 134903913), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).