trimethylsilyl 3H-indene-1-carboxylate

C13H16O2Si — CID 11413616

IUPACtrimethylsilyl 3H-indene-1-carboxylate
SMILESC[Si](C)(C)OC(=O)C1=CCc2ccccc21
InChIInChI=1S/C13H16O2Si/c1-16(2,3)15-13(14)12-9-8-10-6-4-5-7-11(10)12/h4-7,9H,8H2,1-3H3
InChIKeyQMZUERQCLHLFAR-UHFFFAOYSA-N
MW232.35 g/mol
LogP3.00
Rot. Bonds2

About trimethylsilyl 3H-indene-1-carboxylate

trimethylsilyl 3H-indene-1-carboxylate (PubChem CID 11413616) has the molecular formula C13H16O2Si and a molecular weight of 232.35 g/mol. Its IUPAC name is trimethylsilyl 3H-indene-1-carboxylate.

Molecular Properties

Compound Nametrimethylsilyl 3H-indene-1-carboxylate
PubChem CID11413616
Molecular FormulaC13H16O2Si
Molecular Weight232.35 g/mol
Exact Mass232.09
IUPAC Nametrimethylsilyl 3H-indene-1-carboxylate
SMILESC[Si](C)(C)OC(=O)C1=CCc2ccccc21
InChIInChI=1S/C13H16O2Si/c1-16(2,3)15-13(14)12-9-8-10-6-4-5-7-11(10)12/h4-7,9H,8H2,1-3H3
InChIKeyQMZUERQCLHLFAR-UHFFFAOYSA-N
XLogP3.00
TPSA26.30 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500232.35
LogP ≤ 53.00
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

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Related Compounds

(2S)-2-chloro-1-(3H-inden-1-yl)propan-1-one
CID 158477744
methyl 2-(3H-indene-1-carbonyl)-3-methylimidazole-4-carboxylate
CID 159502878
2-(3H-inden-1-yl)-3-phenylprop-2-enoic acid
CID 67465174
2-anilino-1-(3H-inden-1-yl)propan-1-one
CID 90306934
2-(3H-indene-1-carbonyl)-1-methylimidazole-4-carboxylic acid
CID 159467325
(4-pentylsulfanylnaphthalen-1-yl) 3H-indene-1-carboxylate
CID 129046871
1-(3H-inden-1-yl)-1-(methylamino)propan-2-one
CID 58473757
3-[amino(dimethyl)silyl]oxy-1H-indene
CID 139936953
trimethylsilyl 2-methylbenzoate
CID 577266
methyl (2R)-2-amino-3-(3H-inden-1-yl)propanoate
CID 58249638
trimethylsilyl 2-trimethylsilylperoxybenzoate
CID 87186801
acetic acid;3H-inden-1-ylmethanol
CID 71363289

Frequently Asked Questions

What is the IUPAC name of trimethylsilyl 3H-indene-1-carboxylate?
The IUPAC name of trimethylsilyl 3H-indene-1-carboxylate (CID 11413616) is trimethylsilyl 3H-indene-1-carboxylate.
What is the SMILES notation for trimethylsilyl 3H-indene-1-carboxylate?
The canonical SMILES for trimethylsilyl 3H-indene-1-carboxylate is C[Si](C)(C)OC(=O)C1=CCc2ccccc21.
What is the InChIKey of trimethylsilyl 3H-indene-1-carboxylate?
The InChIKey is QMZUERQCLHLFAR-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H16O2Si/c1-16(2,3)15-13(14)12-9-8-10-6-4-5-7-11(10)12/h4-7,9H,8H2,1-3H3.
What are the key properties of trimethylsilyl 3H-indene-1-carboxylate?
trimethylsilyl 3H-indene-1-carboxylate has a molecular weight of 232.35 g/mol, XLogP of 3.00, 2 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for trimethylsilyl 3H-indene-1-carboxylate is sourced from PubChem (CID 11413616), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).