methane;2-trimethylsilylethyl N-[(1R,2R,3R)-2,3-dihydroxy-1-methyl-2,3-dihydroinden-1-yl]carbamate

C17H29NO4Si — CID 159643808

IUPACmethane;2-trimethylsilylethyl N-[(1R,2R,3R)-2,3-dihydroxy-1-methyl-2,3-dihydroinden-1-yl]carbamate
SMILESC.C[C@@]1(NC(=O)OCC[Si](C)(C)C)c2ccccc2[C@@H](O)[C@@H]1O
InChIInChI=1S/C16H25NO4Si.CH4/c1-16(17-15(20)21-9-10-22(2,3)4)12-8-6-5-7-11(12)13(18)14(16)19;/h5-8,13-14,18-19H,9-10H2,1-4H3,(H,17,20);1H4/t13-,14+,16-;/m1./s1
InChIKeyMQRSRIYEQFZXFW-CFDZSLPFSA-N
MW339.51 g/mol
LogP3.01
Rot. Bonds4

About methane;2-trimethylsilylethyl N-[(1R,2R,3R)-2,3-dihydroxy-1-methyl-2,3-dihydroinden-1-yl]carbamate

methane;2-trimethylsilylethyl N-[(1R,2R,3R)-2,3-dihydroxy-1-methyl-2,3-dihydroinden-1-yl]carbamate (PubChem CID 159643808) has the molecular formula C17H29NO4Si and a molecular weight of 339.51 g/mol. Its IUPAC name is methane;2-trimethylsilylethyl N-[(1R,2R,3R)-2,3-dihydroxy-1-methyl-2,3-dihydroinden-1-yl]carbamate.

Molecular Properties

Compound Namemethane;2-trimethylsilylethyl N-[(1R,2R,3R)-2,3-dihydroxy-1-methyl-2,3-dihydroinden-1-yl]carbamate
PubChem CID159643808
Molecular FormulaC17H29NO4Si
Molecular Weight339.51 g/mol
Exact Mass339.19
IUPAC Namemethane;2-trimethylsilylethyl N-[(1R,2R,3R)-2,3-dihydroxy-1-methyl-2,3-dihydroinden-1-yl]carbamate
SMILESC.C[C@@]1(NC(=O)OCC[Si](C)(C)C)c2ccccc2[C@@H](O)[C@@H]1O
InChIInChI=1S/C16H25NO4Si.CH4/c1-16(17-15(20)21-9-10-22(2,3)4)12-8-6-5-7-11(12)13(18)14(16)19;/h5-8,13-14,18-19H,9-10H2,1-4H3,(H,17,20);1H4/t13-,14+,16-;/m1./s1
InChIKeyMQRSRIYEQFZXFW-CFDZSLPFSA-N
XLogP3.01
TPSA78.79 Ų
H-Bond Donors3
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500339.51
LogP ≤ 53.01
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

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

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Related Compounds

2-trimethylsilylethyl N-[1-methyl-3-(phenylmethoxycarbonylamino)cyclobutyl]carbamate
CID 176596244
2-trimethylsilylethyl N-[4-chloro-2-(2-oxoethyl)-1,3-dihydroinden-2-yl]carbamate
CID 156862878
2-trimethylsilylethyl N-(3-amino-3-oxo-2-phenylpropyl)carbamate
CID 174027277
(1S,2S)-3-amino-3-methyl-1,2-dihydroindene-1,2-diol;hydrochloride
CID 162316189
2-trimethylsilylethyl 1-(phenylmethoxycarbonylamino)cyclohexane-1-carboxylate
CID 23252917
methoxymethyl N-[2-tert-butyl-3-hydroxy-1-(methoxymethoxy)-2,3-dihydroinden-1-yl]carbamate
CID 140636855
methyl (1S,2S)-1-hydroxy-3-methylidene-1,2-dihydroindene-2-carboxylate
CID 102419080
2-trimethylsilylethyl (2S)-2-[[(2S,3R)-2-(9H-fluoren-9-ylmethoxycarbonylamino)-3-hydroxybutanoyl]amino]-3-methylbutanoate
CID 25150562
2-trimethylsilylethyl N-(3-fluorophenyl)carbamate
CID 68758194
(4-methylphenyl)-oxido-(2-trimethylsilylethoxycarbonylamino)sulfanium
CID 171661696
2-trimethylsilylethyl 2-aminobenzoate
CID 154264553
trans-tert-butyl (1S,2S)-2-ethyl-1-(2-trimethylsilylethoxycarbonylamino)cyclopropane-1-carboxylate
CID 86601847

Frequently Asked Questions

What is the IUPAC name of methane;2-trimethylsilylethyl N-[(1R,2R,3R)-2,3-dihydroxy-1-methyl-2,3-dihydroinden-1-yl]carbamate?
The IUPAC name of methane;2-trimethylsilylethyl N-[(1R,2R,3R)-2,3-dihydroxy-1-methyl-2,3-dihydroinden-1-yl]carbamate (CID 159643808) is methane;2-trimethylsilylethyl N-[(1R,2R,3R)-2,3-dihydroxy-1-methyl-2,3-dihydroinden-1-yl]carbamate.
What is the SMILES notation for methane;2-trimethylsilylethyl N-[(1R,2R,3R)-2,3-dihydroxy-1-methyl-2,3-dihydroinden-1-yl]carbamate?
The canonical SMILES for methane;2-trimethylsilylethyl N-[(1R,2R,3R)-2,3-dihydroxy-1-methyl-2,3-dihydroinden-1-yl]carbamate is C.C[C@@]1(NC(=O)OCC[Si](C)(C)C)c2ccccc2[C@@H](O)[C@@H]1O.
What is the InChIKey of methane;2-trimethylsilylethyl N-[(1R,2R,3R)-2,3-dihydroxy-1-methyl-2,3-dihydroinden-1-yl]carbamate?
The InChIKey is MQRSRIYEQFZXFW-CFDZSLPFSA-N. The full InChI is InChI=1S/C16H25NO4Si.CH4/c1-16(17-15(20)21-9-10-22(2,3)4)12-8-6-5-7-11(12)13(18)14(16)19;/h5-8,13-14,18-19H,9-10H2,1-4H3,(H,17,20);1H4/t13-,14+,16-;/m1./s1.
What are the key properties of methane;2-trimethylsilylethyl N-[(1R,2R,3R)-2,3-dihydroxy-1-methyl-2,3-dihydroinden-1-yl]carbamate?
methane;2-trimethylsilylethyl N-[(1R,2R,3R)-2,3-dihydroxy-1-methyl-2,3-dihydroinden-1-yl]carbamate has a molecular weight of 339.51 g/mol, XLogP of 3.01, 4 rotatable bonds, 3 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for methane;2-trimethylsilylethyl N-[(1R,2R,3R)-2,3-dihydroxy-1-methyl-2,3-dihydroinden-1-yl]carbamate is sourced from PubChem (CID 159643808), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).