(4-amino-1-ethoxybutyl) diethyl methyl silicate;toluene

C18H35NO5Si — CID 174801068

IUPAC(4-amino-1-ethoxybutyl) diethyl methyl silicate;toluene
SMILESCCOC(CCCN)O[Si](OC)(OCC)OCC.Cc1ccccc1
InChIInChI=1S/C11H27NO5Si.C7H8/c1-5-14-11(9-8-10-12)17-18(13-4,15-6-2)16-7-3;1-7-5-3-2-4-6-7/h11H,5-10,12H2,1-4H3;2-6H,1H3
InChIKeyMSPUYUOBSMKXCN-UHFFFAOYSA-N
MW373.57 g/mol
LogP3.25
Rot. Bonds12

About (4-amino-1-ethoxybutyl) diethyl methyl silicate;toluene

(4-amino-1-ethoxybutyl) diethyl methyl silicate;toluene (PubChem CID 174801068) has the molecular formula C18H35NO5Si and a molecular weight of 373.57 g/mol. Its IUPAC name is (4-amino-1-ethoxybutyl) diethyl methyl silicate;toluene.

Molecular Properties

Compound Name(4-amino-1-ethoxybutyl) diethyl methyl silicate;toluene
PubChem CID174801068
Molecular FormulaC18H35NO5Si
Molecular Weight373.57 g/mol
Exact Mass373.23
IUPAC Name(4-amino-1-ethoxybutyl) diethyl methyl silicate;toluene
SMILESCCOC(CCCN)O[Si](OC)(OCC)OCC.Cc1ccccc1
InChIInChI=1S/C11H27NO5Si.C7H8/c1-5-14-11(9-8-10-12)17-18(13-4,15-6-2)16-7-3;1-7-5-3-2-4-6-7/h11H,5-10,12H2,1-4H3;2-6H,1H3
InChIKeyMSPUYUOBSMKXCN-UHFFFAOYSA-N
XLogP3.25
TPSA72.17 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds12
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500373.57
LogP ≤ 53.25
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'heavy_metal', 'substructure': 'N/A'}, {'alert_name': 'het-C-het_not_in_ring', 'substructure': 'N/A'}

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Related Compounds

methanol;toluene;3-trimethoxysilylpropan-1-amine
CID 174567080
(4-amino-1-ethoxy-1-phenylbutyl) diethyl methyl silicate
CID 174858587
5-aminopentan-2-yl [5-aminopentan-2-yloxy(diethoxy)silyl] diethyl silicate
CID 141125272
butan-1-amine;toluene;hydrate
CID 174894398
toluene;3-triethoxysilylpropane-1-thiol
CID 159252127
1,1-dimethoxypropane;toluene
CID 91421331
1-ethoxyethanol;toluene
CID 19827578
5,5-diethoxypentyl(triphenyl)phosphanium
CID 156628237
2-methoxyethanamine;toluene
CID 91320732
diethoxy-(4-methylphenyl)-phenylsilane
CID 68659610
13,13-diethoxytridecyl(triphenyl)phosphanium
CID 156628251
3-[1-[dimethyl(phenyl)silyl]ethoxy-ethoxy-methylsilyl]propan-1-amine
CID 175152153

Frequently Asked Questions

What is the IUPAC name of (4-amino-1-ethoxybutyl) diethyl methyl silicate;toluene?
The IUPAC name of (4-amino-1-ethoxybutyl) diethyl methyl silicate;toluene (CID 174801068) is (4-amino-1-ethoxybutyl) diethyl methyl silicate;toluene.
What is the SMILES notation for (4-amino-1-ethoxybutyl) diethyl methyl silicate;toluene?
The canonical SMILES for (4-amino-1-ethoxybutyl) diethyl methyl silicate;toluene is CCOC(CCCN)O[Si](OC)(OCC)OCC.Cc1ccccc1.
What is the InChIKey of (4-amino-1-ethoxybutyl) diethyl methyl silicate;toluene?
The InChIKey is MSPUYUOBSMKXCN-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H27NO5Si.C7H8/c1-5-14-11(9-8-10-12)17-18(13-4,15-6-2)16-7-3;1-7-5-3-2-4-6-7/h11H,5-10,12H2,1-4H3;2-6H,1H3.
What are the key properties of (4-amino-1-ethoxybutyl) diethyl methyl silicate;toluene?
(4-amino-1-ethoxybutyl) diethyl methyl silicate;toluene has a molecular weight of 373.57 g/mol, XLogP of 3.25, 12 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for (4-amino-1-ethoxybutyl) diethyl methyl silicate;toluene is sourced from PubChem (CID 174801068), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).