heptadecyl N-(3-triethoxysilylpropyl)carbamate

C27H57NO5Si — CID 102190904

IUPACheptadecyl N-(3-triethoxysilylpropyl)carbamate
SMILESCCCCCCCCCCCCCCCCCOC(=O)NCCC[Si](OCC)(OCC)OCC
InChIInChI=1S/C27H57NO5Si/c1-5-9-10-11-12-13-14-15-16-17-18-19-20-21-22-25-30-27(29)28-24-23-26-34(31-6-2,32-7-3)33-8-4/h5-26H2,1-4H3,(H,28,29)
InChIKeyJYHGCVRGBAIQEB-UHFFFAOYSA-N
MW503.84 g/mol
LogP8.02
Rot. Bonds26

About heptadecyl N-(3-triethoxysilylpropyl)carbamate

heptadecyl N-(3-triethoxysilylpropyl)carbamate (PubChem CID 102190904) has the molecular formula C27H57NO5Si and a molecular weight of 503.84 g/mol. Its IUPAC name is heptadecyl N-(3-triethoxysilylpropyl)carbamate.

Molecular Properties

Compound Nameheptadecyl N-(3-triethoxysilylpropyl)carbamate
PubChem CID102190904
Molecular FormulaC27H57NO5Si
Molecular Weight503.84 g/mol
Exact Mass503.40
IUPAC Nameheptadecyl N-(3-triethoxysilylpropyl)carbamate
SMILESCCCCCCCCCCCCCCCCCOC(=O)NCCC[Si](OCC)(OCC)OCC
InChIInChI=1S/C27H57NO5Si/c1-5-9-10-11-12-13-14-15-16-17-18-19-20-21-22-25-30-27(29)28-24-23-26-34(31-6-2,32-7-3)33-8-4/h5-26H2,1-4H3,(H,28,29)
InChIKeyJYHGCVRGBAIQEB-UHFFFAOYSA-N
XLogP8.02
TPSA66.02 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds26
Heavy Atoms34
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500503.84
LogP ≤ 58.02
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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

octadecyl N-(3-triethoxysilylpropyl)carbamate
CID 58802948
6-(3-triethoxysilylpropylcarbamoyloxy)hexanoic acid
CID 58205270
undecyl N-octylcarbamate
CID 168918698
37-(octadecylcarbamoyloxy)heptatriacontyl N-octadecylcarbamate
CID 156779925
hexyl N-tetradecylcarbamate
CID 91739120
azane;octyl N-octylcarbamate
CID 175531380
[3-oxo-3-(3-triethoxysilylpropylamino)propyl] N-(3-triethoxysilylpropyl)carbamate
CID 123219063
1-octyl-3-(3-triethoxysilylpropyl)urea
CID 102048521
octadecyl N-propylcarbamate
CID 175015942
2-[2-[2-(2-hydroxyethoxy)ethoxy]ethoxy]ethyl N-(3-triethoxysilylpropyl)carbamate
CID 102138334
but-3-ynyl N-(3-triethoxysilylpropyl)carbamate
CID 71441394
5-(3-triethoxysilylpropylcarbamoyloxy)pentyl (E)-3-(6-heptoxynaphthalen-2-yl)prop-2-enoate
CID 70023865

Frequently Asked Questions

What is the IUPAC name of heptadecyl N-(3-triethoxysilylpropyl)carbamate?
The IUPAC name of heptadecyl N-(3-triethoxysilylpropyl)carbamate (CID 102190904) is heptadecyl N-(3-triethoxysilylpropyl)carbamate.
What is the SMILES notation for heptadecyl N-(3-triethoxysilylpropyl)carbamate?
The canonical SMILES for heptadecyl N-(3-triethoxysilylpropyl)carbamate is CCCCCCCCCCCCCCCCCOC(=O)NCCC[Si](OCC)(OCC)OCC.
What is the InChIKey of heptadecyl N-(3-triethoxysilylpropyl)carbamate?
The InChIKey is JYHGCVRGBAIQEB-UHFFFAOYSA-N. The full InChI is InChI=1S/C27H57NO5Si/c1-5-9-10-11-12-13-14-15-16-17-18-19-20-21-22-25-30-27(29)28-24-23-26-34(31-6-2,32-7-3)33-8-4/h5-26H2,1-4H3,(H,28,29).
What are the key properties of heptadecyl N-(3-triethoxysilylpropyl)carbamate?
heptadecyl N-(3-triethoxysilylpropyl)carbamate has a molecular weight of 503.84 g/mol, XLogP of 8.02, 26 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for heptadecyl N-(3-triethoxysilylpropyl)carbamate is sourced from PubChem (CID 102190904), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).