tert-butyl N-[3-[diethoxy(hydroxy)silyl]propyl]carbamate

C12H27NO5Si — CID 123298664

IUPACtert-butyl N-[3-[diethoxy(hydroxy)silyl]propyl]carbamate
SMILESCCO[Si](O)(CCCNC(=O)OC(C)(C)C)OCC
InChIInChI=1S/C12H27NO5Si/c1-6-16-19(15,17-7-2)10-8-9-13-11(14)18-12(3,4)5/h15H,6-10H2,1-5H3,(H,13,14)
InChIKeyPNFPPQOZDVRYMQ-UHFFFAOYSA-N
MW293.44 g/mol
LogP1.91
Rot. Bonds8

About tert-butyl N-[3-[diethoxy(hydroxy)silyl]propyl]carbamate

tert-butyl N-[3-[diethoxy(hydroxy)silyl]propyl]carbamate (PubChem CID 123298664) has the molecular formula C12H27NO5Si and a molecular weight of 293.44 g/mol. Its IUPAC name is tert-butyl N-[3-[diethoxy(hydroxy)silyl]propyl]carbamate.

Molecular Properties

Compound Nametert-butyl N-[3-[diethoxy(hydroxy)silyl]propyl]carbamate
PubChem CID123298664
Molecular FormulaC12H27NO5Si
Molecular Weight293.44 g/mol
Exact Mass293.17
IUPAC Nametert-butyl N-[3-[diethoxy(hydroxy)silyl]propyl]carbamate
SMILESCCO[Si](O)(CCCNC(=O)OC(C)(C)C)OCC
InChIInChI=1S/C12H27NO5Si/c1-6-16-19(15,17-7-2)10-8-9-13-11(14)18-12(3,4)5/h15H,6-10H2,1-5H3,(H,13,14)
InChIKeyPNFPPQOZDVRYMQ-UHFFFAOYSA-N
XLogP1.91
TPSA77.02 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds8
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500293.44
LogP ≤ 51.91
H-Bond Donors ≤ 52
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

tert-butyl N-butylcarbamate;methane
CID 153346289
methyl N-[3-[diethoxy(methyl)silyl]propyl]carbamate
CID 22065771
tert-butyl N-(3-ethoxypropyl)carbamate
CID 63787963
tert-butyl N-pentylcarbamate;bis(pentane)
CID 171066640
tert-butyl N-[3-[3-[(2-methylpropan-2-yl)oxycarbonylamino]propylamino]propyl]carbamate
CID 10404463
tert-butyl N-nonylcarbamate;ethane
CID 168941348
tert-butyl N-[6-[6-[(2-methylpropan-2-yl)oxycarbonylamino]hexylamino]hexyl]carbamate
CID 15570048
4-[dimethyl-[3-[(2-methylpropan-2-yl)oxycarbonylamino]propyl]azaniumyl]butyl-dimethyl-[3-[(2-methylpropan-2-yl)oxycarbonylamino]propyl]azanium
CID 89125082
tert-butyl N-[4-(propylamino)butyl]carbamate
CID 86071285
tert-butyl N-(4,4-diethoxybutyl)carbamate
CID 11196290
tert-butyl N-(bromomethyl)carbamate
CID 20614913
tert-butyl N-[5-(methylamino)pentyl]carbamate
CID 87263201

Frequently Asked Questions

What is the IUPAC name of tert-butyl N-[3-[diethoxy(hydroxy)silyl]propyl]carbamate?
The IUPAC name of tert-butyl N-[3-[diethoxy(hydroxy)silyl]propyl]carbamate (CID 123298664) is tert-butyl N-[3-[diethoxy(hydroxy)silyl]propyl]carbamate.
What is the SMILES notation for tert-butyl N-[3-[diethoxy(hydroxy)silyl]propyl]carbamate?
The canonical SMILES for tert-butyl N-[3-[diethoxy(hydroxy)silyl]propyl]carbamate is CCO[Si](O)(CCCNC(=O)OC(C)(C)C)OCC.
What is the InChIKey of tert-butyl N-[3-[diethoxy(hydroxy)silyl]propyl]carbamate?
The InChIKey is PNFPPQOZDVRYMQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H27NO5Si/c1-6-16-19(15,17-7-2)10-8-9-13-11(14)18-12(3,4)5/h15H,6-10H2,1-5H3,(H,13,14).
What are the key properties of tert-butyl N-[3-[diethoxy(hydroxy)silyl]propyl]carbamate?
tert-butyl N-[3-[diethoxy(hydroxy)silyl]propyl]carbamate has a molecular weight of 293.44 g/mol, XLogP of 1.91, 8 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for tert-butyl N-[3-[diethoxy(hydroxy)silyl]propyl]carbamate is sourced from PubChem (CID 123298664), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).