2-[1,1-bis(diethylamino)-2-methyl-5-triethoxysilylpentan-2-yl]sulfanyl-1-N,1-N,1-N',1-N'-tetraethyl-2-methyl-5-triethoxysilylpentane-1,1-diamine

C40H90N4O6SSi2 — CID 172619358

IUPAC2-[1,1-bis(diethylamino)-2-methyl-5-triethoxysilylpentan-2-yl]sulfanyl-1-N,1-N,1-N',1-N'-tetraethyl-2-methyl-5-triethoxysilylpentane-1,1-diamine
SMILESCCO[Si](CCCC(C)(SC(C)(CCC[Si](OCC)(OCC)OCC)C(N(CC)CC)N(CC)CC)C(N(CC)CC)N(CC)CC)(OCC)OCC
InChIInChI=1S/C40H90N4O6SSi2/c1-17-41(18-2)37(42(19-3)20-4)39(15,33-31-35-52(45-25-9,46-26-10)47-27-11)51-40(16,38(43(21-5)22-6)44(23-7)24-8)34-32-36-53(48-28-12,49-29-13)50-30-14/h37-38H,17-36H2,1-16H3
InChIKeyJNTIUFILPMSDMH-UHFFFAOYSA-N
MW811.42 g/mol
LogP8.91
Rot. Bonds36

About 2-[1,1-bis(diethylamino)-2-methyl-5-triethoxysilylpentan-2-yl]sulfanyl-1-N,1-N,1-N',1-N'-tetraethyl-2-methyl-5-triethoxysilylpentane-1,1-diamine

2-[1,1-bis(diethylamino)-2-methyl-5-triethoxysilylpentan-2-yl]sulfanyl-1-N,1-N,1-N',1-N'-tetraethyl-2-methyl-5-triethoxysilylpentane-1,1-diamine (PubChem CID 172619358) has the molecular formula C40H90N4O6SSi2 and a molecular weight of 811.42 g/mol. Its IUPAC name is 2-[1,1-bis(diethylamino)-2-methyl-5-triethoxysilylpentan-2-yl]sulfanyl-1-N,1-N,1-N',1-N'-tetraethyl-2-methyl-5-triethoxysilylpentane-1,1-diamine.

Molecular Properties

Compound Name2-[1,1-bis(diethylamino)-2-methyl-5-triethoxysilylpentan-2-yl]sulfanyl-1-N,1-N,1-N',1-N'-tetraethyl-2-methyl-5-triethoxysilylpentane-1,1-diamine
PubChem CID172619358
Molecular FormulaC40H90N4O6SSi2
Molecular Weight811.42 g/mol
Exact Mass810.61
IUPAC Name2-[1,1-bis(diethylamino)-2-methyl-5-triethoxysilylpentan-2-yl]sulfanyl-1-N,1-N,1-N',1-N'-tetraethyl-2-methyl-5-triethoxysilylpentane-1,1-diamine
SMILESCCO[Si](CCCC(C)(SC(C)(CCC[Si](OCC)(OCC)OCC)C(N(CC)CC)N(CC)CC)C(N(CC)CC)N(CC)CC)(OCC)OCC
InChIInChI=1S/C40H90N4O6SSi2/c1-17-41(18-2)37(42(19-3)20-4)39(15,33-31-35-52(45-25-9,46-26-10)47-27-11)51-40(16,38(43(21-5)22-6)44(23-7)24-8)34-32-36-53(48-28-12,49-29-13)50-30-14/h37-38H,17-36H2,1-16H3
InChIKeyJNTIUFILPMSDMH-UHFFFAOYSA-N
XLogP8.91
TPSA68.34 Ų
H-Bond Donors
H-Bond Acceptors11
Rotatable Bonds36
Heavy Atoms53
Complexity—

Lipinski Rule of Five

3 violations

RuleValue
MW ≤ 500811.42
LogP ≤ 58.91
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 1011

Computed Properties (RDKit)

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

Analyze 2-[1,1-bis(diethylamino)-2-methyl-5-triethoxysilylpentan-2-yl]sulfanyl-1-N,1-N,1-N',1-N'-tetraethyl-2-methyl-5-triethoxysilylpentane-1,1-diamine with MolForge

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Related Compounds

triethoxy(4,4,4-trifluorobutyl)silane
CID 22459507
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CID 175020399
triethoxy(10-triethoxysilyldecyl)silane
CID 14439044
1,9-bis(triethoxysilyl)-4,6-bis(3-triethoxysilylpropyl)nonane-4,6-diamine
CID 140847718
triethylsilyl 2,2-dimethyl-5-triethoxysilylpentanoate
CID 86039074
azane;3-triethoxysilylpropane-1-thiol
CID 174882567
3,3-bis(3-triethoxysilylpropyl)pentanebis(thioic S-acid)
CID 162187678
5-triethoxysilylpentane-2-thiol
CID 19834372
6-triethoxysilyl-2,3-bis(3-triethoxysilylpropyl)hexane-1,3-diamine
CID 172719348
29-triethoxysilylnonacosane-1-thiol
CID 87683851
20-triethoxysilylicosane-1-thiol
CID 87684173
triethoxy(18,18,18-tribromooctadecyl)silane
CID 140708887

Frequently Asked Questions

What is the IUPAC name of 2-[1,1-bis(diethylamino)-2-methyl-5-triethoxysilylpentan-2-yl]sulfanyl-1-N,1-N,1-N',1-N'-tetraethyl-2-methyl-5-triethoxysilylpentane-1,1-diamine?
The IUPAC name of 2-[1,1-bis(diethylamino)-2-methyl-5-triethoxysilylpentan-2-yl]sulfanyl-1-N,1-N,1-N',1-N'-tetraethyl-2-methyl-5-triethoxysilylpentane-1,1-diamine (CID 172619358) is 2-[1,1-bis(diethylamino)-2-methyl-5-triethoxysilylpentan-2-yl]sulfanyl-1-N,1-N,1-N',1-N'-tetraethyl-2-methyl-5-triethoxysilylpentane-1,1-diamine.
What is the SMILES notation for 2-[1,1-bis(diethylamino)-2-methyl-5-triethoxysilylpentan-2-yl]sulfanyl-1-N,1-N,1-N',1-N'-tetraethyl-2-methyl-5-triethoxysilylpentane-1,1-diamine?
The canonical SMILES for 2-[1,1-bis(diethylamino)-2-methyl-5-triethoxysilylpentan-2-yl]sulfanyl-1-N,1-N,1-N',1-N'-tetraethyl-2-methyl-5-triethoxysilylpentane-1,1-diamine is CCO[Si](CCCC(C)(SC(C)(CCC[Si](OCC)(OCC)OCC)C(N(CC)CC)N(CC)CC)C(N(CC)CC)N(CC)CC)(OCC)OCC.
What is the InChIKey of 2-[1,1-bis(diethylamino)-2-methyl-5-triethoxysilylpentan-2-yl]sulfanyl-1-N,1-N,1-N',1-N'-tetraethyl-2-methyl-5-triethoxysilylpentane-1,1-diamine?
The InChIKey is JNTIUFILPMSDMH-UHFFFAOYSA-N. The full InChI is InChI=1S/C40H90N4O6SSi2/c1-17-41(18-2)37(42(19-3)20-4)39(15,33-31-35-52(45-25-9,46-26-10)47-27-11)51-40(16,38(43(21-5)22-6)44(23-7)24-8)34-32-36-53(48-28-12,49-29-13)50-30-14/h37-38H,17-36H2,1-16H3.
What are the key properties of 2-[1,1-bis(diethylamino)-2-methyl-5-triethoxysilylpentan-2-yl]sulfanyl-1-N,1-N,1-N',1-N'-tetraethyl-2-methyl-5-triethoxysilylpentane-1,1-diamine?
2-[1,1-bis(diethylamino)-2-methyl-5-triethoxysilylpentan-2-yl]sulfanyl-1-N,1-N,1-N',1-N'-tetraethyl-2-methyl-5-triethoxysilylpentane-1,1-diamine has a molecular weight of 811.42 g/mol, XLogP of 8.91, 36 rotatable bonds, 0 hydrogen bond donors, and 11 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[1,1-bis(diethylamino)-2-methyl-5-triethoxysilylpentan-2-yl]sulfanyl-1-N,1-N,1-N',1-N'-tetraethyl-2-methyl-5-triethoxysilylpentane-1,1-diamine is sourced from PubChem (CID 172619358), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).