2-trimethylsilylethyl N-[(Z)-4-oxotridec-2-en-3-yl]carbamate

C19H37NO3Si — CID 140870286

IUPAC2-trimethylsilylethyl N-[(Z)-4-oxotridec-2-en-3-yl]carbamate
SMILESC/C=C(\NC(=O)OCC[Si](C)(C)C)C(=O)CCCCCCCCC
InChIInChI=1S/C19H37NO3Si/c1-6-8-9-10-11-12-13-14-18(21)17(7-2)20-19(22)23-15-16-24(3,4)5/h7H,6,8-16H2,1-5H3,(H,20,22)/b17-7-
InChIKeyOSIICGDANIGWIF-IDUWFGFVSA-N
MW355.60 g/mol
LogP5.66
Rot. Bonds13

About 2-trimethylsilylethyl N-[(Z)-4-oxotridec-2-en-3-yl]carbamate

2-trimethylsilylethyl N-[(Z)-4-oxotridec-2-en-3-yl]carbamate (PubChem CID 140870286) has the molecular formula C19H37NO3Si and a molecular weight of 355.60 g/mol. Its IUPAC name is 2-trimethylsilylethyl N-[(Z)-4-oxotridec-2-en-3-yl]carbamate.

Molecular Properties

Compound Name2-trimethylsilylethyl N-[(Z)-4-oxotridec-2-en-3-yl]carbamate
PubChem CID140870286
Molecular FormulaC19H37NO3Si
Molecular Weight355.60 g/mol
Exact Mass355.25
IUPAC Name2-trimethylsilylethyl N-[(Z)-4-oxotridec-2-en-3-yl]carbamate
SMILESC/C=C(\NC(=O)OCC[Si](C)(C)C)C(=O)CCCCCCCCC
InChIInChI=1S/C19H37NO3Si/c1-6-8-9-10-11-12-13-14-18(21)17(7-2)20-19(22)23-15-16-24(3,4)5/h7H,6,8-16H2,1-5H3,(H,20,22)/b17-7-
InChIKeyOSIICGDANIGWIF-IDUWFGFVSA-N
XLogP5.66
TPSA55.40 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds13
Heavy Atoms24
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500355.60
LogP ≤ 55.66
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}, {'alert_name': 'heavy_metal', 'substructure': 'N/A'}, {'alert_name': 'Michael_acceptor_1', 'substructure': 'N/A'}

Analyze 2-trimethylsilylethyl N-[(Z)-4-oxotridec-2-en-3-yl]carbamate with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

prop-2-enyl N-[(Z)-4-oxoundec-2-en-3-yl]carbamate
CID 131748625
2-trimethylsilylethyl heptanoate
CID 141105261
benzyl N-[(Z)-4-oxotridec-2-en-3-yl]carbamate
CID 140853677
2-trimethylsilylethyl N-butylcarbamate
CID 102394632
octyl 2-trimethylsilylethyl carbonate
CID 172701355
(2S)-2-(2-trimethylsilylethoxycarbonylamino)octanoic acid
CID 162340818
2-trimethylsilylethyl [hexyl(dimethyl)silyl]formate
CID 87902808
(E)-3-methyldodec-2-en-4-one
CID 102121544
tetradecyl N-(hydroxymethyl)carbamate
CID 71348472
2-(heptanoylamino)but-2-enoic acid
CID 54363986
methyl N-hexoxycarbonylcarbamate
CID 153299552
dodecoxycarbonylcarbamic acid
CID 19778443

Frequently Asked Questions

What is the IUPAC name of 2-trimethylsilylethyl N-[(Z)-4-oxotridec-2-en-3-yl]carbamate?
The IUPAC name of 2-trimethylsilylethyl N-[(Z)-4-oxotridec-2-en-3-yl]carbamate (CID 140870286) is 2-trimethylsilylethyl N-[(Z)-4-oxotridec-2-en-3-yl]carbamate.
What is the SMILES notation for 2-trimethylsilylethyl N-[(Z)-4-oxotridec-2-en-3-yl]carbamate?
The canonical SMILES for 2-trimethylsilylethyl N-[(Z)-4-oxotridec-2-en-3-yl]carbamate is C/C=C(\NC(=O)OCC[Si](C)(C)C)C(=O)CCCCCCCCC.
What is the InChIKey of 2-trimethylsilylethyl N-[(Z)-4-oxotridec-2-en-3-yl]carbamate?
The InChIKey is OSIICGDANIGWIF-IDUWFGFVSA-N. The full InChI is InChI=1S/C19H37NO3Si/c1-6-8-9-10-11-12-13-14-18(21)17(7-2)20-19(22)23-15-16-24(3,4)5/h7H,6,8-16H2,1-5H3,(H,20,22)/b17-7-.
What are the key properties of 2-trimethylsilylethyl N-[(Z)-4-oxotridec-2-en-3-yl]carbamate?
2-trimethylsilylethyl N-[(Z)-4-oxotridec-2-en-3-yl]carbamate has a molecular weight of 355.60 g/mol, XLogP of 5.66, 13 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-trimethylsilylethyl N-[(Z)-4-oxotridec-2-en-3-yl]carbamate is sourced from PubChem (CID 140870286), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).