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

C14H30ClNO2Si — CID 18951451

IUPAC3-[chloro(dimethyl)silyl]propyl N-octylcarbamate
SMILESCCCCCCCCNC(=O)OCCC[Si](C)(C)Cl
InChIInChI=1S/C14H30ClNO2Si/c1-4-5-6-7-8-9-11-16-14(17)18-12-10-13-19(2,3)15/h4-13H2,1-3H3,(H,16,17)
InChIKeyIDYCPHIUAUEIPB-UHFFFAOYSA-N
MW307.94 g/mol
LogP4.91
Rot. Bonds11

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

3-[chloro(dimethyl)silyl]propyl N-octylcarbamate (PubChem CID 18951451) has the molecular formula C14H30ClNO2Si and a molecular weight of 307.94 g/mol. Its IUPAC name is 3-[chloro(dimethyl)silyl]propyl N-octylcarbamate.

Molecular Properties

Compound Name3-[chloro(dimethyl)silyl]propyl N-octylcarbamate
PubChem CID18951451
Molecular FormulaC14H30ClNO2Si
Molecular Weight307.94 g/mol
Exact Mass307.17
IUPAC Name3-[chloro(dimethyl)silyl]propyl N-octylcarbamate
SMILESCCCCCCCCNC(=O)OCCC[Si](C)(C)Cl
InChIInChI=1S/C14H30ClNO2Si/c1-4-5-6-7-8-9-11-16-14(17)18-12-10-13-19(2,3)15/h4-13H2,1-3H3,(H,16,17)
InChIKeyIDYCPHIUAUEIPB-UHFFFAOYSA-N
XLogP4.91
TPSA38.33 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds11
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500307.94
LogP ≤ 54.91
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-hexadecylcarbamate
CID 101035923
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
2-bromoethyl N-octadecylcarbamate
CID 59133738
7-(butoxycarbonylamino)heptylcarbamic acid
CID 139823149

Frequently Asked Questions

What is the IUPAC name of 3-[chloro(dimethyl)silyl]propyl N-octylcarbamate?
The IUPAC name of 3-[chloro(dimethyl)silyl]propyl N-octylcarbamate (CID 18951451) is 3-[chloro(dimethyl)silyl]propyl N-octylcarbamate.
What is the SMILES notation for 3-[chloro(dimethyl)silyl]propyl N-octylcarbamate?
The canonical SMILES for 3-[chloro(dimethyl)silyl]propyl N-octylcarbamate is CCCCCCCCNC(=O)OCCC[Si](C)(C)Cl.
What is the InChIKey of 3-[chloro(dimethyl)silyl]propyl N-octylcarbamate?
The InChIKey is IDYCPHIUAUEIPB-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H30ClNO2Si/c1-4-5-6-7-8-9-11-16-14(17)18-12-10-13-19(2,3)15/h4-13H2,1-3H3,(H,16,17).
What are the key properties of 3-[chloro(dimethyl)silyl]propyl N-octylcarbamate?
3-[chloro(dimethyl)silyl]propyl N-octylcarbamate has a molecular weight of 307.94 g/mol, XLogP of 4.91, 11 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-octylcarbamate is sourced from PubChem (CID 18951451), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).