trimethyl-[(1S)-1-methyl-3H-2-benzofuran-1-yl]silane

C12H18OSi — CID 101240367

IUPACtrimethyl-[(1S)-1-methyl-3H-2-benzofuran-1-yl]silane
SMILESC[C@@]1([Si](C)(C)C)OCc2ccccc21
InChIInChI=1S/C12H18OSi/c1-12(14(2,3)4)11-8-6-5-7-10(11)9-13-12/h5-8H,9H2,1-4H3/t12-/m0/s1
InChIKeyJGYOIBPTTQHQPW-LBPRGKRZSA-N
MW206.36 g/mol
LogP3.31
Rot. Bonds1

About trimethyl-[(1S)-1-methyl-3H-2-benzofuran-1-yl]silane

trimethyl-[(1S)-1-methyl-3H-2-benzofuran-1-yl]silane (PubChem CID 101240367) has the molecular formula C12H18OSi and a molecular weight of 206.36 g/mol. Its IUPAC name is trimethyl-[(1S)-1-methyl-3H-2-benzofuran-1-yl]silane.

Molecular Properties

Compound Nametrimethyl-[(1S)-1-methyl-3H-2-benzofuran-1-yl]silane
PubChem CID101240367
Molecular FormulaC12H18OSi
Molecular Weight206.36 g/mol
Exact Mass206.11
IUPAC Nametrimethyl-[(1S)-1-methyl-3H-2-benzofuran-1-yl]silane
SMILESC[C@@]1([Si](C)(C)C)OCc2ccccc21
InChIInChI=1S/C12H18OSi/c1-12(14(2,3)4)11-8-6-5-7-10(11)9-13-12/h5-8H,9H2,1-4H3/t12-/m0/s1
InChIKeyJGYOIBPTTQHQPW-LBPRGKRZSA-N
XLogP3.31
TPSA9.23 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds1
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500206.36
LogP ≤ 53.31
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 101

Computed Properties (RDKit)

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

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Related Compounds

trimethyl-(1-methyl-3H-2-benzofuran-1-yl)silane
CID 11267868
trimethyl-[(1R)-1-methyl-3H-2-benzofuran-1-yl]silane
CID 12997112
3,3-diphenyl-1H-2-benzofuran
CID 571068
ethane;spiro[1H-2-benzofuran-3,4'-piperidine]
CID 163403209
1-fluoro-3H-2-benzofuran-1-carboxylic acid
CID 70573707
7,7-dimethyl-5,8-dihydropyrano[4,3-b]pyridine
CID 167037500
spiro[1H-2-benzofuran-3,9'-xanthene]-3',6'-diol
CID 21240933
1'-ethylspiro[1H-2-benzofuran-3,4'-piperidine]
CID 10036300
trimethyl-[[4-(1-methyl-3H-2-benzofuran-1-yl)phenyl]methyl]azanium iodide
CID 45049668
spiro[1H-2-benzofuran-3,3'-pyrrolidine];hydrochloride
CID 66662035
N-(11-methyl-6H-benzo[c][1]benzoxepin-11-yl)hydroxylamine
CID 21301576
3,3-dimethyl-5-[(1-methyl-3H-2-benzofuran-1-yl)methyl]-1,2-dihydroisoindole
CID 170361101

Frequently Asked Questions

What is the IUPAC name of trimethyl-[(1S)-1-methyl-3H-2-benzofuran-1-yl]silane?
The IUPAC name of trimethyl-[(1S)-1-methyl-3H-2-benzofuran-1-yl]silane (CID 101240367) is trimethyl-[(1S)-1-methyl-3H-2-benzofuran-1-yl]silane.
What is the SMILES notation for trimethyl-[(1S)-1-methyl-3H-2-benzofuran-1-yl]silane?
The canonical SMILES for trimethyl-[(1S)-1-methyl-3H-2-benzofuran-1-yl]silane is C[C@@]1([Si](C)(C)C)OCc2ccccc21.
What is the InChIKey of trimethyl-[(1S)-1-methyl-3H-2-benzofuran-1-yl]silane?
The InChIKey is JGYOIBPTTQHQPW-LBPRGKRZSA-N. The full InChI is InChI=1S/C12H18OSi/c1-12(14(2,3)4)11-8-6-5-7-10(11)9-13-12/h5-8H,9H2,1-4H3/t12-/m0/s1.
What are the key properties of trimethyl-[(1S)-1-methyl-3H-2-benzofuran-1-yl]silane?
trimethyl-[(1S)-1-methyl-3H-2-benzofuran-1-yl]silane has a molecular weight of 206.36 g/mol, XLogP of 3.31, 1 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for trimethyl-[(1S)-1-methyl-3H-2-benzofuran-1-yl]silane is sourced from PubChem (CID 101240367), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).