triethoxy-[[4-triethoxysilyl-1-(triethoxysilylmethoxy)butoxy]methyl]silane

C24H56O11Si3 — CID 165129410

IUPACtriethoxy-[[4-triethoxysilyl-1-(triethoxysilylmethoxy)butoxy]methyl]silane
SMILESCCO[Si](CCCC(OC[Si](OCC)(OCC)OCC)OC[Si](OCC)(OCC)OCC)(OCC)OCC
InChIInChI=1S/C24H56O11Si3/c1-10-27-36(28-11-2,29-12-3)21-19-20-24(25-22-37(30-13-4,31-14-5)32-15-6)26-23-38(33-16-7,34-17-8)35-18-9/h24H,10-23H2,1-9H3
InChIKeyDEKNNEPTNICNPN-UHFFFAOYSA-N
MW604.96 g/mol
LogP4.35
Rot. Bonds28

About triethoxy-[[4-triethoxysilyl-1-(triethoxysilylmethoxy)butoxy]methyl]silane

triethoxy-[[4-triethoxysilyl-1-(triethoxysilylmethoxy)butoxy]methyl]silane (PubChem CID 165129410) has the molecular formula C24H56O11Si3 and a molecular weight of 604.96 g/mol. Its IUPAC name is triethoxy-[[4-triethoxysilyl-1-(triethoxysilylmethoxy)butoxy]methyl]silane.

Molecular Properties

Compound Nametriethoxy-[[4-triethoxysilyl-1-(triethoxysilylmethoxy)butoxy]methyl]silane
PubChem CID165129410
Molecular FormulaC24H56O11Si3
Molecular Weight604.96 g/mol
Exact Mass604.31
IUPAC Nametriethoxy-[[4-triethoxysilyl-1-(triethoxysilylmethoxy)butoxy]methyl]silane
SMILESCCO[Si](CCCC(OC[Si](OCC)(OCC)OCC)OC[Si](OCC)(OCC)OCC)(OCC)OCC
InChIInChI=1S/C24H56O11Si3/c1-10-27-36(28-11-2,29-12-3)21-19-20-24(25-22-37(30-13-4,31-14-5)32-15-6)26-23-38(33-16-7,34-17-8)35-18-9/h24H,10-23H2,1-9H3
InChIKeyDEKNNEPTNICNPN-UHFFFAOYSA-N
XLogP4.35
TPSA101.53 Ų
H-Bond Donors
H-Bond Acceptors11
Rotatable Bonds28
Heavy Atoms38
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500604.96
LogP ≤ 54.35
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'}

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Related Compounds

5-triethoxysilylpentane-2-thiol
CID 19834372
triethoxy(10-triethoxysilyldecyl)silane
CID 14439044
triethoxy-[(E)-4-methylhept-5-enyl]silane
CID 87112293
4,6-dimethyl-1,9-bis(triethoxysilyl)nonan-5-one
CID 87593623
dodecyl(triethoxy)silane;tridecane
CID 174970002
triethoxy-[3-(3-triethoxysilylpropoxy)propyl]silane
CID 22616805
triethoxy(nonyl)silane;triethoxy(octyl)silane
CID 175508301
triethoxy(henicosyl)silane
CID 141362894
triethoxy(pentyl)silane;hydrofluoride
CID 174582602
triethoxy-[(E)-6-methylnon-7-enyl]silane
CID 87112447
triethoxy(6-methylnon-7-enyl)silane
CID 123953366
36-triethoxysilylhexatriacontan-1-amine
CID 87683625

Frequently Asked Questions

What is the IUPAC name of triethoxy-[[4-triethoxysilyl-1-(triethoxysilylmethoxy)butoxy]methyl]silane?
The IUPAC name of triethoxy-[[4-triethoxysilyl-1-(triethoxysilylmethoxy)butoxy]methyl]silane (CID 165129410) is triethoxy-[[4-triethoxysilyl-1-(triethoxysilylmethoxy)butoxy]methyl]silane.
What is the SMILES notation for triethoxy-[[4-triethoxysilyl-1-(triethoxysilylmethoxy)butoxy]methyl]silane?
The canonical SMILES for triethoxy-[[4-triethoxysilyl-1-(triethoxysilylmethoxy)butoxy]methyl]silane is CCO[Si](CCCC(OC[Si](OCC)(OCC)OCC)OC[Si](OCC)(OCC)OCC)(OCC)OCC.
What is the InChIKey of triethoxy-[[4-triethoxysilyl-1-(triethoxysilylmethoxy)butoxy]methyl]silane?
The InChIKey is DEKNNEPTNICNPN-UHFFFAOYSA-N. The full InChI is InChI=1S/C24H56O11Si3/c1-10-27-36(28-11-2,29-12-3)21-19-20-24(25-22-37(30-13-4,31-14-5)32-15-6)26-23-38(33-16-7,34-17-8)35-18-9/h24H,10-23H2,1-9H3.
What are the key properties of triethoxy-[[4-triethoxysilyl-1-(triethoxysilylmethoxy)butoxy]methyl]silane?
triethoxy-[[4-triethoxysilyl-1-(triethoxysilylmethoxy)butoxy]methyl]silane has a molecular weight of 604.96 g/mol, XLogP of 4.35, 28 rotatable bonds, 0 hydrogen bond donors, and 11 hydrogen bond acceptors.
Where does this data come from?
All data for triethoxy-[[4-triethoxysilyl-1-(triethoxysilylmethoxy)butoxy]methyl]silane is sourced from PubChem (CID 165129410), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).