6-triethoxysilyl-2,3-bis(3-triethoxysilylpropyl)hexane-1,3-diamine

C30H70N2O9Si3 — CID 172719348

IUPAC6-triethoxysilyl-2,3-bis(3-triethoxysilylpropyl)hexane-1,3-diamine
SMILESCCO[Si](CCCC(CN)C(N)(CCC[Si](OCC)(OCC)OCC)CCC[Si](OCC)(OCC)OCC)(OCC)OCC
InChIInChI=1S/C30H70N2O9Si3/c1-10-33-42(34-11-2,35-12-3)25-19-22-29(28-31)30(32,23-20-26-43(36-13-4,37-14-5)38-15-6)24-21-27-44(39-16-7,40-17-8)41-18-9/h29H,10-28,31-32H2,1-9H3
InChIKeyGHGRWWDDTFTKIN-UHFFFAOYSA-N
MW687.15 g/mol
LogP5.74
Rot. Bonds32

About 6-triethoxysilyl-2,3-bis(3-triethoxysilylpropyl)hexane-1,3-diamine

6-triethoxysilyl-2,3-bis(3-triethoxysilylpropyl)hexane-1,3-diamine (PubChem CID 172719348) has the molecular formula C30H70N2O9Si3 and a molecular weight of 687.15 g/mol. Its IUPAC name is 6-triethoxysilyl-2,3-bis(3-triethoxysilylpropyl)hexane-1,3-diamine.

Molecular Properties

Compound Name6-triethoxysilyl-2,3-bis(3-triethoxysilylpropyl)hexane-1,3-diamine
PubChem CID172719348
Molecular FormulaC30H70N2O9Si3
Molecular Weight687.15 g/mol
Exact Mass686.44
IUPAC Name6-triethoxysilyl-2,3-bis(3-triethoxysilylpropyl)hexane-1,3-diamine
SMILESCCO[Si](CCCC(CN)C(N)(CCC[Si](OCC)(OCC)OCC)CCC[Si](OCC)(OCC)OCC)(OCC)OCC
InChIInChI=1S/C30H70N2O9Si3/c1-10-33-42(34-11-2,35-12-3)25-19-22-29(28-31)30(32,23-20-26-43(36-13-4,37-14-5)38-15-6)24-21-27-44(39-16-7,40-17-8)41-18-9/h29H,10-28,31-32H2,1-9H3
InChIKeyGHGRWWDDTFTKIN-UHFFFAOYSA-N
XLogP5.74
TPSA135.11 Ų
H-Bond Donors2
H-Bond Acceptors11
Rotatable Bonds32
Heavy Atoms44
Complexity—

Lipinski Rule of Five

3 violations

RuleValue
MW ≤ 500687.15
LogP ≤ 55.74
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 1011

Computed Properties (RDKit)

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

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Related Compounds

1,9-bis(triethoxysilyl)-4,6-bis(3-triethoxysilylpropyl)nonane-4,6-diamine
CID 140847718
4-propyl-5-(triethoxysilylmethyl)nonadecan-4-amine
CID 87394069
triethoxy(4,4,4-trifluorobutyl)silane
CID 22459507
5-triethoxysilylpentane-2-thiol
CID 19834372
azane;4-(2-chloropropan-2-yl)octadecyl-triethoxysilane
CID 172702580
triethoxy(10-triethoxysilyldecyl)silane
CID 14439044
triethoxy-[[4-triethoxysilyl-1-(triethoxysilylmethoxy)butoxy]methyl]silane
CID 165129410
2-(2-triethoxysilylethoxy)propan-1-amine
CID 59561219
36-triethoxysilylhexatriacontan-1-amine
CID 87683625
4,6-dimethyl-1,9-bis(triethoxysilyl)nonan-5-one
CID 87593623
12-triethoxysilyldodecan-1-amine;hydrochloride
CID 175579282
triethoxy-[7-(2,3,4,5,6-pentafluorophenyl)heptyl]silane
CID 90172549

Frequently Asked Questions

What is the IUPAC name of 6-triethoxysilyl-2,3-bis(3-triethoxysilylpropyl)hexane-1,3-diamine?
The IUPAC name of 6-triethoxysilyl-2,3-bis(3-triethoxysilylpropyl)hexane-1,3-diamine (CID 172719348) is 6-triethoxysilyl-2,3-bis(3-triethoxysilylpropyl)hexane-1,3-diamine.
What is the SMILES notation for 6-triethoxysilyl-2,3-bis(3-triethoxysilylpropyl)hexane-1,3-diamine?
The canonical SMILES for 6-triethoxysilyl-2,3-bis(3-triethoxysilylpropyl)hexane-1,3-diamine is CCO[Si](CCCC(CN)C(N)(CCC[Si](OCC)(OCC)OCC)CCC[Si](OCC)(OCC)OCC)(OCC)OCC.
What is the InChIKey of 6-triethoxysilyl-2,3-bis(3-triethoxysilylpropyl)hexane-1,3-diamine?
The InChIKey is GHGRWWDDTFTKIN-UHFFFAOYSA-N. The full InChI is InChI=1S/C30H70N2O9Si3/c1-10-33-42(34-11-2,35-12-3)25-19-22-29(28-31)30(32,23-20-26-43(36-13-4,37-14-5)38-15-6)24-21-27-44(39-16-7,40-17-8)41-18-9/h29H,10-28,31-32H2,1-9H3.
What are the key properties of 6-triethoxysilyl-2,3-bis(3-triethoxysilylpropyl)hexane-1,3-diamine?
6-triethoxysilyl-2,3-bis(3-triethoxysilylpropyl)hexane-1,3-diamine has a molecular weight of 687.15 g/mol, XLogP of 5.74, 32 rotatable bonds, 2 hydrogen bond donors, and 11 hydrogen bond acceptors.
Where does this data come from?
All data for 6-triethoxysilyl-2,3-bis(3-triethoxysilylpropyl)hexane-1,3-diamine is sourced from PubChem (CID 172719348), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).