[4-bis(prop-2-enyl)boranyl-1,1-dimethyl-3-prop-2-enyl-5-trimethylstannylsilol-2-yl]-trimethylsilane

C21H39BSi2Sn — CID 135081386

IUPAC[4-bis(prop-2-enyl)boranyl-1,1-dimethyl-3-prop-2-enyl-5-trimethylstannylsilol-2-yl]-trimethylsilane
SMILESC=CCB(CC=C)C1=C([Sn](C)(C)C)[Si](C)(C)C([Si](C)(C)C)=C1CC=C
InChIInChI=1S/C18H30BSi2.3CH3.Sn/c1-9-12-16-17(19(13-10-2)14-11-3)15-21(7,8)18(16)20(4,5)6;;;;/h9-11H,1-3,12-14H2,4-8H3;3*1H3;
InChIKeyZCEKHLAIMQYVBU-UHFFFAOYSA-N
MW477.24 g/mol
LogP7.12
Rot. Bonds9

About [4-bis(prop-2-enyl)boranyl-1,1-dimethyl-3-prop-2-enyl-5-trimethylstannylsilol-2-yl]-trimethylsilane

[4-bis(prop-2-enyl)boranyl-1,1-dimethyl-3-prop-2-enyl-5-trimethylstannylsilol-2-yl]-trimethylsilane (PubChem CID 135081386) has the molecular formula C21H39BSi2Sn and a molecular weight of 477.24 g/mol. Its IUPAC name is [4-bis(prop-2-enyl)boranyl-1,1-dimethyl-3-prop-2-enyl-5-trimethylstannylsilol-2-yl]-trimethylsilane.

Molecular Properties

Compound Name[4-bis(prop-2-enyl)boranyl-1,1-dimethyl-3-prop-2-enyl-5-trimethylstannylsilol-2-yl]-trimethylsilane
PubChem CID135081386
Molecular FormulaC21H39BSi2Sn
Molecular Weight477.24 g/mol
Exact Mass478.17
IUPAC Name[4-bis(prop-2-enyl)boranyl-1,1-dimethyl-3-prop-2-enyl-5-trimethylstannylsilol-2-yl]-trimethylsilane
SMILESC=CCB(CC=C)C1=C([Sn](C)(C)C)[Si](C)(C)C([Si](C)(C)C)=C1CC=C
InChIInChI=1S/C18H30BSi2.3CH3.Sn/c1-9-12-16-17(19(13-10-2)14-11-3)15-21(7,8)18(16)20(4,5)6;;;;/h9-11H,1-3,12-14H2,4-8H3;3*1H3;
InChIKeyZCEKHLAIMQYVBU-UHFFFAOYSA-N
XLogP7.12
TPSA0.00 Ų
H-Bond Donors
H-Bond Acceptors
Rotatable Bonds9
Heavy Atoms25
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500477.24
LogP ≤ 57.12
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 100

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of [4-bis(prop-2-enyl)boranyl-1,1-dimethyl-3-prop-2-enyl-5-trimethylstannylsilol-2-yl]-trimethylsilane?
The IUPAC name of [4-bis(prop-2-enyl)boranyl-1,1-dimethyl-3-prop-2-enyl-5-trimethylstannylsilol-2-yl]-trimethylsilane (CID 135081386) is [4-bis(prop-2-enyl)boranyl-1,1-dimethyl-3-prop-2-enyl-5-trimethylstannylsilol-2-yl]-trimethylsilane.
What is the SMILES notation for [4-bis(prop-2-enyl)boranyl-1,1-dimethyl-3-prop-2-enyl-5-trimethylstannylsilol-2-yl]-trimethylsilane?
The canonical SMILES for [4-bis(prop-2-enyl)boranyl-1,1-dimethyl-3-prop-2-enyl-5-trimethylstannylsilol-2-yl]-trimethylsilane is C=CCB(CC=C)C1=C([Sn](C)(C)C)[Si](C)(C)C([Si](C)(C)C)=C1CC=C.
What is the InChIKey of [4-bis(prop-2-enyl)boranyl-1,1-dimethyl-3-prop-2-enyl-5-trimethylstannylsilol-2-yl]-trimethylsilane?
The InChIKey is ZCEKHLAIMQYVBU-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H30BSi2.3CH3.Sn/c1-9-12-16-17(19(13-10-2)14-11-3)15-21(7,8)18(16)20(4,5)6;;;;/h9-11H,1-3,12-14H2,4-8H3;3*1H3;.
What are the key properties of [4-bis(prop-2-enyl)boranyl-1,1-dimethyl-3-prop-2-enyl-5-trimethylstannylsilol-2-yl]-trimethylsilane?
[4-bis(prop-2-enyl)boranyl-1,1-dimethyl-3-prop-2-enyl-5-trimethylstannylsilol-2-yl]-trimethylsilane has a molecular weight of 477.24 g/mol, XLogP of 7.12, 9 rotatable bonds, 0 hydrogen bond donors, and 0 hydrogen bond acceptors.
Where does this data come from?
All data for [4-bis(prop-2-enyl)boranyl-1,1-dimethyl-3-prop-2-enyl-5-trimethylstannylsilol-2-yl]-trimethylsilane is sourced from PubChem (CID 135081386), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).