3-[chloro(dimethyl)silyl]propyl N-hexadecylcarbamate

C22H46ClNO2Si — CID 101035923

IUPAC3-[chloro(dimethyl)silyl]propyl N-hexadecylcarbamate
SMILESCCCCCCCCCCCCCCCCNC(=O)OCCC[Si](C)(C)Cl
InChIInChI=1S/C22H46ClNO2Si/c1-4-5-6-7-8-9-10-11-12-13-14-15-16-17-19-24-22(25)26-20-18-21-27(2,3)23/h4-21H2,1-3H3,(H,24,25)
InChIKeyOAQIOIIMPKNAOK-UHFFFAOYSA-N
MW420.15 g/mol
LogP8.03
Rot. Bonds19

About 3-[chloro(dimethyl)silyl]propyl N-hexadecylcarbamate

3-[chloro(dimethyl)silyl]propyl N-hexadecylcarbamate (PubChem CID 101035923) has the molecular formula C22H46ClNO2Si and a molecular weight of 420.15 g/mol. Its IUPAC name is 3-[chloro(dimethyl)silyl]propyl N-hexadecylcarbamate.

Molecular Properties

Compound Name3-[chloro(dimethyl)silyl]propyl N-hexadecylcarbamate
PubChem CID101035923
Molecular FormulaC22H46ClNO2Si
Molecular Weight420.15 g/mol
Exact Mass419.30
IUPAC Name3-[chloro(dimethyl)silyl]propyl N-hexadecylcarbamate
SMILESCCCCCCCCCCCCCCCCNC(=O)OCCC[Si](C)(C)Cl
InChIInChI=1S/C22H46ClNO2Si/c1-4-5-6-7-8-9-10-11-12-13-14-15-16-17-19-24-22(25)26-20-18-21-27(2,3)23/h4-21H2,1-3H3,(H,24,25)
InChIKeyOAQIOIIMPKNAOK-UHFFFAOYSA-N
XLogP8.03
TPSA38.33 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds19
Heavy Atoms27
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500420.15
LogP ≤ 58.03
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

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Related Compounds

3-[chloro(dimethyl)silyl]propyl N-octylcarbamate
CID 18951451
3-[chloro(dimethyl)silyl]propyl N-butylcarbamate
CID 18951454
hexyl N-tetradecylcarbamate
CID 91739120
undecyl N-octylcarbamate
CID 168918698
37-(octadecylcarbamoyloxy)heptatriacontyl N-octadecylcarbamate
CID 156779925
azane;octyl N-octylcarbamate
CID 175531380
propyl N-octylcarbamate
CID 18951449
propyl N-nonylcarbamate
CID 91709550
2-hydroxyethyl N-heptylcarbamate
CID 124705283
octadecyl N-propylcarbamate
CID 175015942
7-(butoxycarbonylamino)heptylcarbamic acid
CID 139823149
2-fluoroethyl N-hexylcarbamate
CID 87287131

Frequently Asked Questions

What is the IUPAC name of 3-[chloro(dimethyl)silyl]propyl N-hexadecylcarbamate?
The IUPAC name of 3-[chloro(dimethyl)silyl]propyl N-hexadecylcarbamate (CID 101035923) is 3-[chloro(dimethyl)silyl]propyl N-hexadecylcarbamate.
What is the SMILES notation for 3-[chloro(dimethyl)silyl]propyl N-hexadecylcarbamate?
The canonical SMILES for 3-[chloro(dimethyl)silyl]propyl N-hexadecylcarbamate is CCCCCCCCCCCCCCCCNC(=O)OCCC[Si](C)(C)Cl.
What is the InChIKey of 3-[chloro(dimethyl)silyl]propyl N-hexadecylcarbamate?
The InChIKey is OAQIOIIMPKNAOK-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H46ClNO2Si/c1-4-5-6-7-8-9-10-11-12-13-14-15-16-17-19-24-22(25)26-20-18-21-27(2,3)23/h4-21H2,1-3H3,(H,24,25).
What are the key properties of 3-[chloro(dimethyl)silyl]propyl N-hexadecylcarbamate?
3-[chloro(dimethyl)silyl]propyl N-hexadecylcarbamate has a molecular weight of 420.15 g/mol, XLogP of 8.03, 19 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 3-[chloro(dimethyl)silyl]propyl N-hexadecylcarbamate is sourced from PubChem (CID 101035923), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).