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

C10H22ClNO2Si — CID 18951454

IUPAC3-[chloro(dimethyl)silyl]propyl N-butylcarbamate
SMILESCCCCNC(=O)OCCC[Si](C)(C)Cl
InChIInChI=1S/C10H22ClNO2Si/c1-4-5-7-12-10(13)14-8-6-9-15(2,3)11/h4-9H2,1-3H3,(H,12,13)
InChIKeyQYCNLPBPARKLTM-UHFFFAOYSA-N
MW251.83 g/mol
LogP3.35
Rot. Bonds7

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

3-[chloro(dimethyl)silyl]propyl N-butylcarbamate (PubChem CID 18951454) has the molecular formula C10H22ClNO2Si and a molecular weight of 251.83 g/mol. Its IUPAC name is 3-[chloro(dimethyl)silyl]propyl N-butylcarbamate.

Molecular Properties

Compound Name3-[chloro(dimethyl)silyl]propyl N-butylcarbamate
PubChem CID18951454
Molecular FormulaC10H22ClNO2Si
Molecular Weight251.83 g/mol
Exact Mass251.11
IUPAC Name3-[chloro(dimethyl)silyl]propyl N-butylcarbamate
SMILESCCCCNC(=O)OCCC[Si](C)(C)Cl
InChIInChI=1S/C10H22ClNO2Si/c1-4-5-7-12-10(13)14-8-6-9-15(2,3)11/h4-9H2,1-3H3,(H,12,13)
InChIKeyQYCNLPBPARKLTM-UHFFFAOYSA-N
XLogP3.35
TPSA38.33 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds7
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500251.83
LogP ≤ 53.35
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-hexadecylcarbamate
CID 101035923
2-trimethylsilylethyl N-butylcarbamate
CID 102394632
butyl N-butylcarbamate;molecular hydrogen
CID 142164887
undecyl N-octylcarbamate
CID 168918698
37-(octadecylcarbamoyloxy)heptatriacontyl N-octadecylcarbamate
CID 156779925
hexyl N-tetradecylcarbamate
CID 91739120
azane;octyl N-octylcarbamate
CID 175531380
butyl N-(3-hydroxypropyl)carbamate
CID 57302125
12-sulfanyldodecyl N-butylcarbamate
CID 102593789
2-(propylamino)ethyl N-butylcarbamate
CID 79338122
3-[3-(butylamino)propoxy]propyl N-butylcarbamate
CID 87800133

Frequently Asked Questions

What is the IUPAC name of 3-[chloro(dimethyl)silyl]propyl N-butylcarbamate?
The IUPAC name of 3-[chloro(dimethyl)silyl]propyl N-butylcarbamate (CID 18951454) is 3-[chloro(dimethyl)silyl]propyl N-butylcarbamate.
What is the SMILES notation for 3-[chloro(dimethyl)silyl]propyl N-butylcarbamate?
The canonical SMILES for 3-[chloro(dimethyl)silyl]propyl N-butylcarbamate is CCCCNC(=O)OCCC[Si](C)(C)Cl.
What is the InChIKey of 3-[chloro(dimethyl)silyl]propyl N-butylcarbamate?
The InChIKey is QYCNLPBPARKLTM-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H22ClNO2Si/c1-4-5-7-12-10(13)14-8-6-9-15(2,3)11/h4-9H2,1-3H3,(H,12,13).
What are the key properties of 3-[chloro(dimethyl)silyl]propyl N-butylcarbamate?
3-[chloro(dimethyl)silyl]propyl N-butylcarbamate has a molecular weight of 251.83 g/mol, XLogP of 3.35, 7 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-butylcarbamate is sourced from PubChem (CID 18951454), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).