(1-phenyl-1-trimethylsilylhexyl) N,N-diethylcarbamate

C20H35NO2Si — CID 11100180

IUPAC(1-phenyl-1-trimethylsilylhexyl) N,N-diethylcarbamate
SMILESCCCCCC(OC(=O)N(CC)CC)(c1ccccc1)[Si](C)(C)C
InChIInChI=1S/C20H35NO2Si/c1-7-10-14-17-20(24(4,5)6,18-15-12-11-13-16-18)23-19(22)21(8-2)9-3/h11-13,15-16H,7-10,14,17H2,1-6H3
InChIKeyBILXPOQHUXKNOO-UHFFFAOYSA-N
MW349.59 g/mol
LogP5.82
Rot. Bonds9

About (1-phenyl-1-trimethylsilylhexyl) N,N-diethylcarbamate

(1-phenyl-1-trimethylsilylhexyl) N,N-diethylcarbamate (PubChem CID 11100180) has the molecular formula C20H35NO2Si and a molecular weight of 349.59 g/mol. Its IUPAC name is (1-phenyl-1-trimethylsilylhexyl) N,N-diethylcarbamate.

Molecular Properties

Compound Name(1-phenyl-1-trimethylsilylhexyl) N,N-diethylcarbamate
PubChem CID11100180
Molecular FormulaC20H35NO2Si
Molecular Weight349.59 g/mol
Exact Mass349.24
IUPAC Name(1-phenyl-1-trimethylsilylhexyl) N,N-diethylcarbamate
SMILESCCCCCC(OC(=O)N(CC)CC)(c1ccccc1)[Si](C)(C)C
InChIInChI=1S/C20H35NO2Si/c1-7-10-14-17-20(24(4,5)6,18-15-12-11-13-16-18)23-19(22)21(8-2)9-3/h11-13,15-16H,7-10,14,17H2,1-6H3
InChIKeyBILXPOQHUXKNOO-UHFFFAOYSA-N
XLogP5.82
TPSA29.54 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds9
Heavy Atoms24
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500349.59
LogP ≤ 55.82
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

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Related Compounds

(3-methyl-1-phenyl-1-trimethylsilylpentyl) N,N-diethylcarbamate
CID 134905803
2-methyl-2-phenylicosaneperoxoic acid
CID 88610014
CID 173332127
CID 173332127
2-nonyl-2-phenylpropanedioic acid
CID 70554602
2-amino-2-phenylnonanoic acid;hydrochloride
CID 11208398
2-bromo-2-phenylheptanamide
CID 57012582
2-methyl-2-phenyldecanoic acid
CID 154177551
calcium;hydride;2-octyl-2-phenylpropanedioic acid
CID 174969095
calcium;2-hexyl-2-phenylpropanedioic acid;hydride
CID 174967829
2-methyl-2-phenylnonadecanoic acid
CID 140988291
2-phenyl-2-propan-2-yloctadecanoic acid
CID 159693537
tert-butyl N-ethyl-N-[4-[(2-methylpropan-2-yl)oxycarbonyl-[3-(tritylamino)propyl]amino]butyl]carbamate
CID 101096516

Frequently Asked Questions

What is the IUPAC name of (1-phenyl-1-trimethylsilylhexyl) N,N-diethylcarbamate?
The IUPAC name of (1-phenyl-1-trimethylsilylhexyl) N,N-diethylcarbamate (CID 11100180) is (1-phenyl-1-trimethylsilylhexyl) N,N-diethylcarbamate.
What is the SMILES notation for (1-phenyl-1-trimethylsilylhexyl) N,N-diethylcarbamate?
The canonical SMILES for (1-phenyl-1-trimethylsilylhexyl) N,N-diethylcarbamate is CCCCCC(OC(=O)N(CC)CC)(c1ccccc1)[Si](C)(C)C.
What is the InChIKey of (1-phenyl-1-trimethylsilylhexyl) N,N-diethylcarbamate?
The InChIKey is BILXPOQHUXKNOO-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H35NO2Si/c1-7-10-14-17-20(24(4,5)6,18-15-12-11-13-16-18)23-19(22)21(8-2)9-3/h11-13,15-16H,7-10,14,17H2,1-6H3.
What are the key properties of (1-phenyl-1-trimethylsilylhexyl) N,N-diethylcarbamate?
(1-phenyl-1-trimethylsilylhexyl) N,N-diethylcarbamate has a molecular weight of 349.59 g/mol, XLogP of 5.82, 9 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for (1-phenyl-1-trimethylsilylhexyl) N,N-diethylcarbamate is sourced from PubChem (CID 11100180), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).