propan-2-yl N-(3-triethoxysilylpropyl)carbamate

C13H29NO5Si — CID 87069299

IUPACpropan-2-yl N-(3-triethoxysilylpropyl)carbamate
SMILESCCO[Si](CCCNC(=O)OC(C)C)(OCC)OCC
InChIInChI=1S/C13H29NO5Si/c1-6-16-20(17-7-2,18-8-3)11-9-10-14-13(15)19-12(4)5/h12H,6-11H2,1-5H3,(H,14,15)
InChIKeyGATNPLZMLCLKAI-UHFFFAOYSA-N
MW307.46 g/mol
LogP2.56
Rot. Bonds11

About propan-2-yl N-(3-triethoxysilylpropyl)carbamate

propan-2-yl N-(3-triethoxysilylpropyl)carbamate (PubChem CID 87069299) has the molecular formula C13H29NO5Si and a molecular weight of 307.46 g/mol. Its IUPAC name is propan-2-yl N-(3-triethoxysilylpropyl)carbamate.

Molecular Properties

Compound Namepropan-2-yl N-(3-triethoxysilylpropyl)carbamate
PubChem CID87069299
Molecular FormulaC13H29NO5Si
Molecular Weight307.46 g/mol
Exact Mass307.18
IUPAC Namepropan-2-yl N-(3-triethoxysilylpropyl)carbamate
SMILESCCO[Si](CCCNC(=O)OC(C)C)(OCC)OCC
InChIInChI=1S/C13H29NO5Si/c1-6-16-20(17-7-2,18-8-3)11-9-10-14-13(15)19-12(4)5/h12H,6-11H2,1-5H3,(H,14,15)
InChIKeyGATNPLZMLCLKAI-UHFFFAOYSA-N
XLogP2.56
TPSA66.02 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds11
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500307.46
LogP ≤ 52.56
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

1-(1-but-3-en-2-yloxyethoxy)ethyl N-(3-triethoxysilylpropyl)carbamate
CID 175153550
propan-2-yl N-(3-ethoxypropyl)carbamate
CID 116653800
1-(3-triethoxysilylpropyl)-3-[6-(3-triethoxysilylpropylcarbamoylamino)hexyl]urea
CID 87657796
silane;3-triethoxysilylpropylurea
CID 161180470
2-amino-N-(3-triethoxysilylpropyl)acetamide
CID 59561209
octadecyl N-(3-triethoxysilylpropyl)carbamate
CID 58802948
heptadecyl N-(3-triethoxysilylpropyl)carbamate
CID 102190904
[3-oxo-3-(3-triethoxysilylpropylamino)propyl] N-(3-triethoxysilylpropyl)carbamate
CID 123219063
[3-(butan-2-ylamino)-3-oxopropyl] N-(3-triethoxysilylpropyl)carbamate
CID 59582714
N-(3-triethoxysilylpropyl)butanamide
CID 20829613
2-methylsulfanyl-N-[2-oxo-2-(3-triethoxysilylpropylamino)ethyl]propanamide
CID 58903348
prop-2-ynyl N-(3-triethoxysilylpropyl)carbamoperoxoate
CID 90477209

Frequently Asked Questions

What is the IUPAC name of propan-2-yl N-(3-triethoxysilylpropyl)carbamate?
The IUPAC name of propan-2-yl N-(3-triethoxysilylpropyl)carbamate (CID 87069299) is propan-2-yl N-(3-triethoxysilylpropyl)carbamate.
What is the SMILES notation for propan-2-yl N-(3-triethoxysilylpropyl)carbamate?
The canonical SMILES for propan-2-yl N-(3-triethoxysilylpropyl)carbamate is CCO[Si](CCCNC(=O)OC(C)C)(OCC)OCC.
What is the InChIKey of propan-2-yl N-(3-triethoxysilylpropyl)carbamate?
The InChIKey is GATNPLZMLCLKAI-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H29NO5Si/c1-6-16-20(17-7-2,18-8-3)11-9-10-14-13(15)19-12(4)5/h12H,6-11H2,1-5H3,(H,14,15).
What are the key properties of propan-2-yl N-(3-triethoxysilylpropyl)carbamate?
propan-2-yl N-(3-triethoxysilylpropyl)carbamate has a molecular weight of 307.46 g/mol, XLogP of 2.56, 11 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for propan-2-yl N-(3-triethoxysilylpropyl)carbamate is sourced from PubChem (CID 87069299), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).