[(R)-(2-methylcyclohexen-1-yl)-[methyl(diphenyl)silyl]methyl] N,N-di(propan-2-yl)carbamate

C28H39NO2Si — CID 11733064

IUPAC[(R)-(2-methylcyclohexen-1-yl)-[methyl(diphenyl)silyl]methyl] N,N-di(propan-2-yl)carbamate
SMILESCC1=C([C@H](OC(=O)N(C(C)C)C(C)C)[Si](C)(c2ccccc2)c2ccccc2)CCCC1
InChIInChI=1S/C28H39NO2Si/c1-21(2)29(22(3)4)28(30)31-27(26-20-14-13-15-23(26)5)32(6,24-16-9-7-10-17-24)25-18-11-8-12-19-25/h7-12,16-19,21-22,27H,13-15,20H2,1-6H3/t27-/m1/s1
InChIKeyZADXCOVNLSPLAC-HHHXNRCGSA-N
MW449.71 g/mol
LogP5.93
Rot. Bonds7

About [(R)-(2-methylcyclohexen-1-yl)-[methyl(diphenyl)silyl]methyl] N,N-di(propan-2-yl)carbamate

[(R)-(2-methylcyclohexen-1-yl)-[methyl(diphenyl)silyl]methyl] N,N-di(propan-2-yl)carbamate (PubChem CID 11733064) has the molecular formula C28H39NO2Si and a molecular weight of 449.71 g/mol. Its IUPAC name is [(R)-(2-methylcyclohexen-1-yl)-[methyl(diphenyl)silyl]methyl] N,N-di(propan-2-yl)carbamate.

Molecular Properties

Compound Name[(R)-(2-methylcyclohexen-1-yl)-[methyl(diphenyl)silyl]methyl] N,N-di(propan-2-yl)carbamate
PubChem CID11733064
Molecular FormulaC28H39NO2Si
Molecular Weight449.71 g/mol
Exact Mass449.28
IUPAC Name[(R)-(2-methylcyclohexen-1-yl)-[methyl(diphenyl)silyl]methyl] N,N-di(propan-2-yl)carbamate
SMILESCC1=C([C@H](OC(=O)N(C(C)C)C(C)C)[Si](C)(c2ccccc2)c2ccccc2)CCCC1
InChIInChI=1S/C28H39NO2Si/c1-21(2)29(22(3)4)28(30)31-27(26-20-14-13-15-23(26)5)32(6,24-16-9-7-10-17-24)25-18-11-8-12-19-25/h7-12,16-19,21-22,27H,13-15,20H2,1-6H3/t27-/m1/s1
InChIKeyZADXCOVNLSPLAC-HHHXNRCGSA-N
XLogP5.93
TPSA29.54 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds7
Heavy Atoms32
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500449.71
LogP ≤ 55.93
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

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Related Compounds

[(R)-[(1E)-2-methylcycloocten-1-yl]-trimethylsilylmethyl] N,N-di(propan-2-yl)carbamate
CID 102020945
[(2-methylcyclohexen-1-yl)-trimethylstannylmethyl] N,N-di(propan-2-yl)carbamate
CID 11761505
[(R)-cyclohexen-1-yl(trimethylsilyl)methyl] N,N-di(propan-2-yl)carbamate
CID 10892321
[cyclopropyl(phenyl)methyl] N,N-di(propan-2-yl)carbamate
CID 154718412
[(E,2S)-4-phenylbut-3-en-2-yl] N,N-di(propan-2-yl)carbamate
CID 15110199
[(E)-1-phenylbut-2-enyl] N,N-di(propan-2-yl)carbamate
CID 102052023
[(2S)-2-[di(propan-2-yl)carbamoyloxy]-2-phenylethyl] N,N-di(propan-2-yl)carbamate
CID 102588636
[(3S)-2-methyl-3-trimethylsilyl-3H-inden-1-yl] N,N-di(propan-2-yl)carbamate
CID 100997072
[(3R,4R)-3-[(1R,2S)-2-[tert-butyl(diphenyl)silyl]oxy-1-hydroxypropyl]-4-propan-2-ylcyclohexen-1-yl] N,N-di(propan-2-yl)carbamate
CID 16752937
1-(2-fluorophenyl)propan-2-yl N,N-di(propan-2-yl)carbamate
CID 12070578
[(E,3S)-5,5-dimethyl-4-oxo-1-phenylhex-1-en-3-yl] N,N-di(propan-2-yl)carbamate
CID 10736314
[(1S)-1-trimethylstannyl-2,3-dihydroinden-1-yl] N,N-di(propan-2-yl)carbamate
CID 10669993

Frequently Asked Questions

What is the IUPAC name of [(R)-(2-methylcyclohexen-1-yl)-[methyl(diphenyl)silyl]methyl] N,N-di(propan-2-yl)carbamate?
The IUPAC name of [(R)-(2-methylcyclohexen-1-yl)-[methyl(diphenyl)silyl]methyl] N,N-di(propan-2-yl)carbamate (CID 11733064) is [(R)-(2-methylcyclohexen-1-yl)-[methyl(diphenyl)silyl]methyl] N,N-di(propan-2-yl)carbamate.
What is the SMILES notation for [(R)-(2-methylcyclohexen-1-yl)-[methyl(diphenyl)silyl]methyl] N,N-di(propan-2-yl)carbamate?
The canonical SMILES for [(R)-(2-methylcyclohexen-1-yl)-[methyl(diphenyl)silyl]methyl] N,N-di(propan-2-yl)carbamate is CC1=C([C@H](OC(=O)N(C(C)C)C(C)C)[Si](C)(c2ccccc2)c2ccccc2)CCCC1.
What is the InChIKey of [(R)-(2-methylcyclohexen-1-yl)-[methyl(diphenyl)silyl]methyl] N,N-di(propan-2-yl)carbamate?
The InChIKey is ZADXCOVNLSPLAC-HHHXNRCGSA-N. The full InChI is InChI=1S/C28H39NO2Si/c1-21(2)29(22(3)4)28(30)31-27(26-20-14-13-15-23(26)5)32(6,24-16-9-7-10-17-24)25-18-11-8-12-19-25/h7-12,16-19,21-22,27H,13-15,20H2,1-6H3/t27-/m1/s1.
What are the key properties of [(R)-(2-methylcyclohexen-1-yl)-[methyl(diphenyl)silyl]methyl] N,N-di(propan-2-yl)carbamate?
[(R)-(2-methylcyclohexen-1-yl)-[methyl(diphenyl)silyl]methyl] N,N-di(propan-2-yl)carbamate has a molecular weight of 449.71 g/mol, XLogP of 5.93, 7 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for [(R)-(2-methylcyclohexen-1-yl)-[methyl(diphenyl)silyl]methyl] N,N-di(propan-2-yl)carbamate is sourced from PubChem (CID 11733064), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).