[(3S)-2-methyl-3-trimethylsilyl-3H-inden-1-yl] N,N-di(propan-2-yl)carbamate

C20H31NO2Si — CID 100997072

IUPAC[(3S)-2-methyl-3-trimethylsilyl-3H-inden-1-yl] N,N-di(propan-2-yl)carbamate
SMILESCC1=C(OC(=O)N(C(C)C)C(C)C)c2ccccc2[C@@H]1[Si](C)(C)C
InChIInChI=1S/C20H31NO2Si/c1-13(2)21(14(3)4)20(22)23-18-15(5)19(24(6,7)8)17-12-10-9-11-16(17)18/h9-14,19H,1-8H3/t19-/m1/s1
InChIKeyYHQODOHRXAXTGQ-LJQANCHMSA-N
MW345.56 g/mol
LogP5.65
Rot. Bonds4

About [(3S)-2-methyl-3-trimethylsilyl-3H-inden-1-yl] N,N-di(propan-2-yl)carbamate

[(3S)-2-methyl-3-trimethylsilyl-3H-inden-1-yl] N,N-di(propan-2-yl)carbamate (PubChem CID 100997072) has the molecular formula C20H31NO2Si and a molecular weight of 345.56 g/mol. Its IUPAC name is [(3S)-2-methyl-3-trimethylsilyl-3H-inden-1-yl] N,N-di(propan-2-yl)carbamate.

Molecular Properties

Compound Name[(3S)-2-methyl-3-trimethylsilyl-3H-inden-1-yl] N,N-di(propan-2-yl)carbamate
PubChem CID100997072
Molecular FormulaC20H31NO2Si
Molecular Weight345.56 g/mol
Exact Mass345.21
IUPAC Name[(3S)-2-methyl-3-trimethylsilyl-3H-inden-1-yl] N,N-di(propan-2-yl)carbamate
SMILESCC1=C(OC(=O)N(C(C)C)C(C)C)c2ccccc2[C@@H]1[Si](C)(C)C
InChIInChI=1S/C20H31NO2Si/c1-13(2)21(14(3)4)20(22)23-18-15(5)19(24(6,7)8)17-12-10-9-11-16(17)18/h9-14,19H,1-8H3/t19-/m1/s1
InChIKeyYHQODOHRXAXTGQ-LJQANCHMSA-N
XLogP5.65
TPSA29.54 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms24
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500345.56
LogP ≤ 55.65
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

(2,3-dimethyl-1H-inden-1-yl)-trimethylsilane
CID 18766748
[2-(4-fluorophenyl)phenyl] N,N-di(propan-2-yl)carbamate
CID 101050040
9H-fluoren-9-ylmethyl N-phenyl-N-trimethylsilylcarbamate
CID 54486413
[2-[hydroxy(phenyl)methyl]phenyl] N,N-di(propan-2-yl)carbamate
CID 15423381
[(R)-(2-methylcyclohexen-1-yl)-[methyl(diphenyl)silyl]methyl] N,N-di(propan-2-yl)carbamate
CID 11733064
carbon monoxide;chromium;[2-(dimethylcarbamoyl)phenyl] N,N-di(propan-2-yl)carbamate
CID 134899208
trimethyl-[(5R,6R,11S,12S)-6,11,12-tris(trimethylsilyl)-5,6,11,12-tetrahydrotetracen-5-yl]silane
CID 132992519
9H-fluoren-9-ylmethyl N-chloro-N-(1-oxopropan-2-yl)carbamate
CID 131964913
2-(4-methylphenyl)-N,N-di(propan-2-yl)benzamide
CID 11822559
propan-2-yl N-phenyl-N-propan-2-ylcarbamate
CID 71384721
trimethyl-[(1S)-2-methyl-1H-inden-1-yl]silane
CID 99738416
[(R)-[(1E)-2-methylcycloocten-1-yl]-trimethylsilylmethyl] N,N-di(propan-2-yl)carbamate
CID 102020945

Frequently Asked Questions

What is the IUPAC name of [(3S)-2-methyl-3-trimethylsilyl-3H-inden-1-yl] N,N-di(propan-2-yl)carbamate?
The IUPAC name of [(3S)-2-methyl-3-trimethylsilyl-3H-inden-1-yl] N,N-di(propan-2-yl)carbamate (CID 100997072) is [(3S)-2-methyl-3-trimethylsilyl-3H-inden-1-yl] N,N-di(propan-2-yl)carbamate.
What is the SMILES notation for [(3S)-2-methyl-3-trimethylsilyl-3H-inden-1-yl] N,N-di(propan-2-yl)carbamate?
The canonical SMILES for [(3S)-2-methyl-3-trimethylsilyl-3H-inden-1-yl] N,N-di(propan-2-yl)carbamate is CC1=C(OC(=O)N(C(C)C)C(C)C)c2ccccc2[C@@H]1[Si](C)(C)C.
What is the InChIKey of [(3S)-2-methyl-3-trimethylsilyl-3H-inden-1-yl] N,N-di(propan-2-yl)carbamate?
The InChIKey is YHQODOHRXAXTGQ-LJQANCHMSA-N. The full InChI is InChI=1S/C20H31NO2Si/c1-13(2)21(14(3)4)20(22)23-18-15(5)19(24(6,7)8)17-12-10-9-11-16(17)18/h9-14,19H,1-8H3/t19-/m1/s1.
What are the key properties of [(3S)-2-methyl-3-trimethylsilyl-3H-inden-1-yl] N,N-di(propan-2-yl)carbamate?
[(3S)-2-methyl-3-trimethylsilyl-3H-inden-1-yl] N,N-di(propan-2-yl)carbamate has a molecular weight of 345.56 g/mol, XLogP of 5.65, 4 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for [(3S)-2-methyl-3-trimethylsilyl-3H-inden-1-yl] N,N-di(propan-2-yl)carbamate is sourced from PubChem (CID 100997072), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).