[(Z)-1-iodo-2-phenylethenyl]-bis(3-methylbutan-2-yl)borane

C18H28BI — CID 102246923

IUPAC[(Z)-1-iodo-2-phenylethenyl]-bis(3-methylbutan-2-yl)borane
SMILESCC(C)C(C)B(/C(I)=C/c1ccccc1)C(C)C(C)C
InChIInChI=1S/C18H28BI/c1-13(2)15(5)19(16(6)14(3)4)18(20)12-17-10-8-7-9-11-17/h7-16H,1-6H3/b18-12-
InChIKeyBOCSYAXCZLDILA-PDGQHHTCSA-N
MW382.14 g/mol
LogP6.59
Rot. Bonds6

About [(Z)-1-iodo-2-phenylethenyl]-bis(3-methylbutan-2-yl)borane

[(Z)-1-iodo-2-phenylethenyl]-bis(3-methylbutan-2-yl)borane (PubChem CID 102246923) has the molecular formula C18H28BI and a molecular weight of 382.14 g/mol. Its IUPAC name is [(Z)-1-iodo-2-phenylethenyl]-bis(3-methylbutan-2-yl)borane.

Molecular Properties

Compound Name[(Z)-1-iodo-2-phenylethenyl]-bis(3-methylbutan-2-yl)borane
PubChem CID102246923
Molecular FormulaC18H28BI
Molecular Weight382.14 g/mol
Exact Mass382.13
IUPAC Name[(Z)-1-iodo-2-phenylethenyl]-bis(3-methylbutan-2-yl)borane
SMILESCC(C)C(C)B(/C(I)=C/c1ccccc1)C(C)C(C)C
InChIInChI=1S/C18H28BI/c1-13(2)15(5)19(16(6)14(3)4)18(20)12-17-10-8-7-9-11-17/h7-16H,1-6H3/b18-12-
InChIKeyBOCSYAXCZLDILA-PDGQHHTCSA-N
XLogP6.59
TPSA0.00 Ų
H-Bond Donors
H-Bond Acceptors
Rotatable Bonds6
Heavy Atoms20
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500382.14
LogP ≤ 56.59
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 100

Computed Properties (RDKit)

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

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Related Compounds

(3-benzylidene-4-phenylpentan-2-yl)benzene
CID 10781434
[(E)-2-fluoro-2-iodoethenyl]benzene
CID 11492511
bis(3-methylbutan-2-yl)-(3-phenylprop-1-en-2-yl)borane
CID 134903913
(Z)-1-methoxy-2-phenylethenethiol
CID 12543362
[(E)-2-[[(E)-1-phenylprop-1-en-2-yl]ditellanyl]prop-1-enyl]benzene
CID 134881508
(E,2S)-3,4-diphenylbut-3-en-2-ol
CID 177489258
(3E)-3-benzylidenepentan-2-ol
CID 135080947
(E)-3,4-dimethyl-5-phenylpent-4-en-2-ol
CID 13214341
(3S)-3-(dimethylamino)-1-phenylbut-1-en-2-ol
CID 155453900
N-(1-phenylprop-1-en-2-yl)hydroxylamine
CID 174837746
(E)-1,1,1-trifluoro-3-methyl-4-phenylbut-3-en-2-ol
CID 10703917
(2-chloro-4-methylpent-1-enyl)benzene
CID 175414445

Frequently Asked Questions

What is the IUPAC name of [(Z)-1-iodo-2-phenylethenyl]-bis(3-methylbutan-2-yl)borane?
The IUPAC name of [(Z)-1-iodo-2-phenylethenyl]-bis(3-methylbutan-2-yl)borane (CID 102246923) is [(Z)-1-iodo-2-phenylethenyl]-bis(3-methylbutan-2-yl)borane.
What is the SMILES notation for [(Z)-1-iodo-2-phenylethenyl]-bis(3-methylbutan-2-yl)borane?
The canonical SMILES for [(Z)-1-iodo-2-phenylethenyl]-bis(3-methylbutan-2-yl)borane is CC(C)C(C)B(/C(I)=C/c1ccccc1)C(C)C(C)C.
What is the InChIKey of [(Z)-1-iodo-2-phenylethenyl]-bis(3-methylbutan-2-yl)borane?
The InChIKey is BOCSYAXCZLDILA-PDGQHHTCSA-N. The full InChI is InChI=1S/C18H28BI/c1-13(2)15(5)19(16(6)14(3)4)18(20)12-17-10-8-7-9-11-17/h7-16H,1-6H3/b18-12-.
What are the key properties of [(Z)-1-iodo-2-phenylethenyl]-bis(3-methylbutan-2-yl)borane?
[(Z)-1-iodo-2-phenylethenyl]-bis(3-methylbutan-2-yl)borane has a molecular weight of 382.14 g/mol, XLogP of 6.59, 6 rotatable bonds, 0 hydrogen bond donors, and 0 hydrogen bond acceptors.
Where does this data come from?
All data for [(Z)-1-iodo-2-phenylethenyl]-bis(3-methylbutan-2-yl)borane is sourced from PubChem (CID 102246923), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).