methoxy-dimethyl-[(1S)-2-methyl-1-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)propyl]silane

C13H29BO3Si — CID 154719302

IUPACmethoxy-dimethyl-[(1S)-2-methyl-1-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)propyl]silane
SMILESCO[Si](C)(C)[C@@H](B1OC(C)(C)C(C)(C)O1)C(C)C
InChIInChI=1S/C13H29BO3Si/c1-10(2)11(18(8,9)15-7)14-16-12(3,4)13(5,6)17-14/h10-11H,1-9H3/t11-/m1/s1
InChIKeyKOSJXVQSQQESTL-LLVKDONJSA-N
MW272.27 g/mol
LogP3.50
Rot. Bonds4

About methoxy-dimethyl-[(1S)-2-methyl-1-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)propyl]silane

methoxy-dimethyl-[(1S)-2-methyl-1-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)propyl]silane (PubChem CID 154719302) has the molecular formula C13H29BO3Si and a molecular weight of 272.27 g/mol. Its IUPAC name is methoxy-dimethyl-[(1S)-2-methyl-1-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)propyl]silane.

Molecular Properties

Compound Namemethoxy-dimethyl-[(1S)-2-methyl-1-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)propyl]silane
PubChem CID154719302
Molecular FormulaC13H29BO3Si
Molecular Weight272.27 g/mol
Exact Mass272.20
IUPAC Namemethoxy-dimethyl-[(1S)-2-methyl-1-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)propyl]silane
SMILESCO[Si](C)(C)[C@@H](B1OC(C)(C)C(C)(C)O1)C(C)C
InChIInChI=1S/C13H29BO3Si/c1-10(2)11(18(8,9)15-7)14-16-12(3,4)13(5,6)17-14/h10-11H,1-9H3/t11-/m1/s1
InChIKeyKOSJXVQSQQESTL-LLVKDONJSA-N
XLogP3.50
TPSA27.69 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500272.27
LogP ≤ 53.50
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

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Related Compounds

Trimethyl[2-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)ethynyl]silane
CID 11447422
1,3,2-Dioxaborolane, 4,4,5,5-tetramethyl-2-[1-(trimethylsilyl)ethenyl]-
CID 12157928
Trimethyl[3-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)prop-1-yn-1-yl]silane
CID 14742407
Triethyl(tetramethyl-1,3,2-dioxaborolan-2-yl)silane
CID 102128834
rac-tert-butyldimethyl{[(1R,2R)-2-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)cyclopropyl]methoxy}silane
CID 155858826
2-Trimethylsilyl-1-ethylboronic acid pinacol ester
CID 11436111
4,4,5,5-Tetramethyl-2-[(trimethylsilyl)methyl]-1,3,2-dioxaborolane
CID 12569882
trimethyl-[(1S,2S)-2-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)cyclopropyl]silane
CID 21592813
Tert-butyl-dimethyl-[2-methyl-2-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)propoxy]silane
CID 151148555
Lithium trimethyl-[(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)methyl]silane
CID 12841175
Tert-butyl-dimethyl-[3-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)butoxy]silane
CID 73067164
Trimethyl-[2-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)cyclopropyl]silane
CID 73809549

Frequently Asked Questions

What is the IUPAC name of methoxy-dimethyl-[(1S)-2-methyl-1-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)propyl]silane?
The IUPAC name of methoxy-dimethyl-[(1S)-2-methyl-1-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)propyl]silane (CID 154719302) is methoxy-dimethyl-[(1S)-2-methyl-1-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)propyl]silane.
What is the SMILES notation for methoxy-dimethyl-[(1S)-2-methyl-1-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)propyl]silane?
The canonical SMILES for methoxy-dimethyl-[(1S)-2-methyl-1-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)propyl]silane is CO[Si](C)(C)[C@@H](B1OC(C)(C)C(C)(C)O1)C(C)C.
What is the InChIKey of methoxy-dimethyl-[(1S)-2-methyl-1-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)propyl]silane?
The InChIKey is KOSJXVQSQQESTL-LLVKDONJSA-N. The full InChI is InChI=1S/C13H29BO3Si/c1-10(2)11(18(8,9)15-7)14-16-12(3,4)13(5,6)17-14/h10-11H,1-9H3/t11-/m1/s1.
What are the key properties of methoxy-dimethyl-[(1S)-2-methyl-1-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)propyl]silane?
methoxy-dimethyl-[(1S)-2-methyl-1-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)propyl]silane has a molecular weight of 272.27 g/mol, XLogP of 3.50, 4 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for methoxy-dimethyl-[(1S)-2-methyl-1-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)propyl]silane is sourced from PubChem (CID 154719302), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).