trimethyl-[(E)-3-(4-methyl-1,3,2-dioxaborolan-2-yl)prop-1-enyl]silane

C9H19BO2Si — CID 168948881

IUPACtrimethyl-[(E)-3-(4-methyl-1,3,2-dioxaborolan-2-yl)prop-1-enyl]silane
SMILESCC1COB(C/C=C/[Si](C)(C)C)O1
InChIInChI=1S/C9H19BO2Si/c1-9-8-11-10(12-9)6-5-7-13(2,3)4/h5,7,9H,6,8H2,1-4H3/b7-5+
InChIKeyNGHIHCWKNKMHFW-FNORWQNLSA-N
MW198.15 g/mol
LogP2.34
Rot. Bonds3

About trimethyl-[(E)-3-(4-methyl-1,3,2-dioxaborolan-2-yl)prop-1-enyl]silane

trimethyl-[(E)-3-(4-methyl-1,3,2-dioxaborolan-2-yl)prop-1-enyl]silane (PubChem CID 168948881) has the molecular formula C9H19BO2Si and a molecular weight of 198.15 g/mol. Its IUPAC name is trimethyl-[(E)-3-(4-methyl-1,3,2-dioxaborolan-2-yl)prop-1-enyl]silane.

Molecular Properties

Compound Nametrimethyl-[(E)-3-(4-methyl-1,3,2-dioxaborolan-2-yl)prop-1-enyl]silane
PubChem CID168948881
Molecular FormulaC9H19BO2Si
Molecular Weight198.15 g/mol
Exact Mass198.12
IUPAC Nametrimethyl-[(E)-3-(4-methyl-1,3,2-dioxaborolan-2-yl)prop-1-enyl]silane
SMILESCC1COB(C/C=C/[Si](C)(C)C)O1
InChIInChI=1S/C9H19BO2Si/c1-9-8-11-10(12-9)6-5-7-13(2,3)4/h5,7,9H,6,8H2,1-4H3/b7-5+
InChIKeyNGHIHCWKNKMHFW-FNORWQNLSA-N
XLogP2.34
TPSA18.46 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500198.15
LogP ≤ 52.34
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of trimethyl-[(E)-3-(4-methyl-1,3,2-dioxaborolan-2-yl)prop-1-enyl]silane?
The IUPAC name of trimethyl-[(E)-3-(4-methyl-1,3,2-dioxaborolan-2-yl)prop-1-enyl]silane (CID 168948881) is trimethyl-[(E)-3-(4-methyl-1,3,2-dioxaborolan-2-yl)prop-1-enyl]silane.
What is the SMILES notation for trimethyl-[(E)-3-(4-methyl-1,3,2-dioxaborolan-2-yl)prop-1-enyl]silane?
The canonical SMILES for trimethyl-[(E)-3-(4-methyl-1,3,2-dioxaborolan-2-yl)prop-1-enyl]silane is CC1COB(C/C=C/[Si](C)(C)C)O1.
What is the InChIKey of trimethyl-[(E)-3-(4-methyl-1,3,2-dioxaborolan-2-yl)prop-1-enyl]silane?
The InChIKey is NGHIHCWKNKMHFW-FNORWQNLSA-N. The full InChI is InChI=1S/C9H19BO2Si/c1-9-8-11-10(12-9)6-5-7-13(2,3)4/h5,7,9H,6,8H2,1-4H3/b7-5+.
What are the key properties of trimethyl-[(E)-3-(4-methyl-1,3,2-dioxaborolan-2-yl)prop-1-enyl]silane?
trimethyl-[(E)-3-(4-methyl-1,3,2-dioxaborolan-2-yl)prop-1-enyl]silane has a molecular weight of 198.15 g/mol, XLogP of 2.34, 3 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for trimethyl-[(E)-3-(4-methyl-1,3,2-dioxaborolan-2-yl)prop-1-enyl]silane is sourced from PubChem (CID 168948881), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).