(3-methyl-1-phenyl-1-trimethylsilylpentyl) N,N-diethylcarbamate

C20H35NO2Si — CID 134905803

IUPAC(3-methyl-1-phenyl-1-trimethylsilylpentyl) N,N-diethylcarbamate
SMILESCCC(C)CC(OC(=O)N(CC)CC)(c1ccccc1)[Si](C)(C)C
InChIInChI=1S/C20H35NO2Si/c1-8-17(4)16-20(24(5,6)7,18-14-12-11-13-15-18)23-19(22)21(9-2)10-3/h11-15,17H,8-10,16H2,1-7H3
InChIKeyLJVITKNVRWTOIN-UHFFFAOYSA-N
MW349.59 g/mol
LogP5.67
Rot. Bonds8

About (3-methyl-1-phenyl-1-trimethylsilylpentyl) N,N-diethylcarbamate

(3-methyl-1-phenyl-1-trimethylsilylpentyl) N,N-diethylcarbamate (PubChem CID 134905803) has the molecular formula C20H35NO2Si and a molecular weight of 349.59 g/mol. Its IUPAC name is (3-methyl-1-phenyl-1-trimethylsilylpentyl) N,N-diethylcarbamate.

Molecular Properties

Compound Name(3-methyl-1-phenyl-1-trimethylsilylpentyl) N,N-diethylcarbamate
PubChem CID134905803
Molecular FormulaC20H35NO2Si
Molecular Weight349.59 g/mol
Exact Mass349.24
IUPAC Name(3-methyl-1-phenyl-1-trimethylsilylpentyl) N,N-diethylcarbamate
SMILESCCC(C)CC(OC(=O)N(CC)CC)(c1ccccc1)[Si](C)(C)C
InChIInChI=1S/C20H35NO2Si/c1-8-17(4)16-20(24(5,6)7,18-14-12-11-13-15-18)23-19(22)21(9-2)10-3/h11-15,17H,8-10,16H2,1-7H3
InChIKeyLJVITKNVRWTOIN-UHFFFAOYSA-N
XLogP5.67
TPSA29.54 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds8
Heavy Atoms24
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500349.59
LogP ≤ 55.67
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

(1-phenyl-1-trimethylsilylhexyl) N,N-diethylcarbamate
CID 11100180
tert-butyl N-ethyl-N-[2-(1-phenylethylamino)ethyl]carbamate
CID 103716862
tert-butyl N-ethyl-N-[2-(1-phenylbutan-2-ylamino)ethyl]carbamate
CID 107245260
2-(diethylamino)-3-methyl-2-phenylbutanoic acid
CID 61340321
[(1R,2S)-1-hydroxy-1-phenylpropan-2-yl] N,N-diethylcarbamate
CID 101353525
2,2-di(butan-2-yloxy)-1,2-diphenylethanone
CID 19035365
tert-butyl N-ethyl-N-[4-[(2-methylpropan-2-yl)oxycarbonyl-[3-(tritylamino)propyl]amino]butyl]carbamate
CID 101096516
tert-butyl N-ethyl-N-[3-[1-(2-fluorophenyl)ethylamino]propyl]carbamate
CID 107242692
tert-butyl N-ethyl-N-(2-methylbutyl)carbamate
CID 79470192
2-phenylpropan-2-yl 2-(2-cyanoethyl)-2,6-dimethyl-4,4-diphenyloctanoate
CID 168830177
methyl 4-(4-diethoxyphosphorylphenyl)-2,6-dimethyl-4-phenyloctanoate
CID 170659344
2-phenylbutan-2-yl 2-methylbutanoate
CID 59331016

Frequently Asked Questions

What is the IUPAC name of (3-methyl-1-phenyl-1-trimethylsilylpentyl) N,N-diethylcarbamate?
The IUPAC name of (3-methyl-1-phenyl-1-trimethylsilylpentyl) N,N-diethylcarbamate (CID 134905803) is (3-methyl-1-phenyl-1-trimethylsilylpentyl) N,N-diethylcarbamate.
What is the SMILES notation for (3-methyl-1-phenyl-1-trimethylsilylpentyl) N,N-diethylcarbamate?
The canonical SMILES for (3-methyl-1-phenyl-1-trimethylsilylpentyl) N,N-diethylcarbamate is CCC(C)CC(OC(=O)N(CC)CC)(c1ccccc1)[Si](C)(C)C.
What is the InChIKey of (3-methyl-1-phenyl-1-trimethylsilylpentyl) N,N-diethylcarbamate?
The InChIKey is LJVITKNVRWTOIN-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H35NO2Si/c1-8-17(4)16-20(24(5,6)7,18-14-12-11-13-15-18)23-19(22)21(9-2)10-3/h11-15,17H,8-10,16H2,1-7H3.
What are the key properties of (3-methyl-1-phenyl-1-trimethylsilylpentyl) N,N-diethylcarbamate?
(3-methyl-1-phenyl-1-trimethylsilylpentyl) N,N-diethylcarbamate has a molecular weight of 349.59 g/mol, XLogP of 5.67, 8 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for (3-methyl-1-phenyl-1-trimethylsilylpentyl) N,N-diethylcarbamate is sourced from PubChem (CID 134905803), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).