tri(propan-2-yl)silyl N-[3-[diethoxy(methyl)silyl]pentyl]carbamate

C20H45NO4Si2 — CID 174659298

IUPACtri(propan-2-yl)silyl N-[3-[diethoxy(methyl)silyl]pentyl]carbamate
SMILESCCO[Si](C)(OCC)C(CC)CCNC(=O)O[Si](C(C)C)(C(C)C)C(C)C
InChIInChI=1S/C20H45NO4Si2/c1-11-19(26(10,23-12-2)24-13-3)14-15-21-20(22)25-27(16(4)5,17(6)7)18(8)9/h16-19H,11-15H2,1-10H3,(H,21,22)
InChIKeyGVHOGBUENQMVNB-UHFFFAOYSA-N
MW419.76 g/mol
LogP6.20
Rot. Bonds13

About tri(propan-2-yl)silyl N-[3-[diethoxy(methyl)silyl]pentyl]carbamate

tri(propan-2-yl)silyl N-[3-[diethoxy(methyl)silyl]pentyl]carbamate (PubChem CID 174659298) has the molecular formula C20H45NO4Si2 and a molecular weight of 419.76 g/mol. Its IUPAC name is tri(propan-2-yl)silyl N-[3-[diethoxy(methyl)silyl]pentyl]carbamate.

Molecular Properties

Compound Nametri(propan-2-yl)silyl N-[3-[diethoxy(methyl)silyl]pentyl]carbamate
PubChem CID174659298
Molecular FormulaC20H45NO4Si2
Molecular Weight419.76 g/mol
Exact Mass419.29
IUPAC Nametri(propan-2-yl)silyl N-[3-[diethoxy(methyl)silyl]pentyl]carbamate
SMILESCCO[Si](C)(OCC)C(CC)CCNC(=O)O[Si](C(C)C)(C(C)C)C(C)C
InChIInChI=1S/C20H45NO4Si2/c1-11-19(26(10,23-12-2)24-13-3)14-15-21-20(22)25-27(16(4)5,17(6)7)18(8)9/h16-19H,11-15H2,1-10H3,(H,21,22)
InChIKeyGVHOGBUENQMVNB-UHFFFAOYSA-N
XLogP6.20
TPSA56.79 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds13
Heavy Atoms27
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500419.76
LogP ≤ 56.20
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'heavy_metal', 'substructure': 'N/A'}

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Related Compounds

tri(propan-2-yl)silyl 2-[3-(butan-2-yloxy-ethoxy-methylsilyl)propylamino]acetate
CID 140591101
diethoxy-methyl-(5-methylhexan-3-yl)silane
CID 175575147
tri(propan-2-yl)silyl 3-[3-[ethoxy(dimethyl)silyl]propylamino]propanoate
CID 88852274
tri(propan-2-yl)silyl 3-[3-[diethoxy(methyl)silyl]propylamino]-2-methylpropanoate
CID 88852346
tri(propan-2-yl)silyl N-[2-(3-hydroxyphenyl)ethyl]carbamate
CID 10640703
bis[tri(propan-2-yl)silyl] 2-[3-[diethoxy(methyl)silyl]propylamino]butanedioate
CID 88852246
propan-2-yl N-(3-triethoxysilylpropyl)carbamate
CID 87069299
methyl N-[3-[diethoxy(methyl)silyl]propyl]carbamate
CID 22065771
4-[(2-methylpropan-2-yl)oxycarbonylamino]-2-tri(propan-2-yl)silyloxybutanoic acid
CID 156663033
tri(propan-2-yl)silyl 2-[3-(butan-2-yloxy-ethoxy-methylsilyl)propyl-ethylamino]acetate
CID 140591252
trimethylsilyl N-[5-(trimethylsilyloxycarbonylamino)pentyl]carbamate
CID 174061171
methyl N-(3-diethoxysilylpentyl)carbamate
CID 154173330

Frequently Asked Questions

What is the IUPAC name of tri(propan-2-yl)silyl N-[3-[diethoxy(methyl)silyl]pentyl]carbamate?
The IUPAC name of tri(propan-2-yl)silyl N-[3-[diethoxy(methyl)silyl]pentyl]carbamate (CID 174659298) is tri(propan-2-yl)silyl N-[3-[diethoxy(methyl)silyl]pentyl]carbamate.
What is the SMILES notation for tri(propan-2-yl)silyl N-[3-[diethoxy(methyl)silyl]pentyl]carbamate?
The canonical SMILES for tri(propan-2-yl)silyl N-[3-[diethoxy(methyl)silyl]pentyl]carbamate is CCO[Si](C)(OCC)C(CC)CCNC(=O)O[Si](C(C)C)(C(C)C)C(C)C.
What is the InChIKey of tri(propan-2-yl)silyl N-[3-[diethoxy(methyl)silyl]pentyl]carbamate?
The InChIKey is GVHOGBUENQMVNB-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H45NO4Si2/c1-11-19(26(10,23-12-2)24-13-3)14-15-21-20(22)25-27(16(4)5,17(6)7)18(8)9/h16-19H,11-15H2,1-10H3,(H,21,22).
What are the key properties of tri(propan-2-yl)silyl N-[3-[diethoxy(methyl)silyl]pentyl]carbamate?
tri(propan-2-yl)silyl N-[3-[diethoxy(methyl)silyl]pentyl]carbamate has a molecular weight of 419.76 g/mol, XLogP of 6.20, 13 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for tri(propan-2-yl)silyl N-[3-[diethoxy(methyl)silyl]pentyl]carbamate is sourced from PubChem (CID 174659298), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).