triethoxy-[1,3,3-tris(triethoxysilyl)propyl]silane

C27H64O12Si4 — CID 22222937

IUPACtriethoxy-[1,3,3-tris(triethoxysilyl)propyl]silane
SMILESCCO[Si](OCC)(OCC)C(CC([Si](OCC)(OCC)OCC)[Si](OCC)(OCC)OCC)[Si](OCC)(OCC)OCC
InChIInChI=1S/C27H64O12Si4/c1-13-28-40(29-14-2,30-15-3)26(41(31-16-4,32-17-5)33-18-6)25-27(42(34-19-7,35-20-8)36-21-9)43(37-22-10,38-23-11)39-24-12/h26-27H,13-25H2,1-12H3
InChIKeyKOOBYGHADWYIKP-UHFFFAOYSA-N
MW693.14 g/mol
LogP5.39
Rot. Bonds30

About triethoxy-[1,3,3-tris(triethoxysilyl)propyl]silane

triethoxy-[1,3,3-tris(triethoxysilyl)propyl]silane (PubChem CID 22222937) has the molecular formula C27H64O12Si4 and a molecular weight of 693.14 g/mol. Its IUPAC name is triethoxy-[1,3,3-tris(triethoxysilyl)propyl]silane.

Molecular Properties

Compound Nametriethoxy-[1,3,3-tris(triethoxysilyl)propyl]silane
PubChem CID22222937
Molecular FormulaC27H64O12Si4
Molecular Weight693.14 g/mol
Exact Mass692.35
IUPAC Nametriethoxy-[1,3,3-tris(triethoxysilyl)propyl]silane
SMILESCCO[Si](OCC)(OCC)C(CC([Si](OCC)(OCC)OCC)[Si](OCC)(OCC)OCC)[Si](OCC)(OCC)OCC
InChIInChI=1S/C27H64O12Si4/c1-13-28-40(29-14-2,30-15-3)26(41(31-16-4,32-17-5)33-18-6)25-27(42(34-19-7,35-20-8)36-21-9)43(37-22-10,38-23-11)39-24-12/h26-27H,13-25H2,1-12H3
InChIKeyKOOBYGHADWYIKP-UHFFFAOYSA-N
XLogP5.39
TPSA110.76 Ų
H-Bond Donors
H-Bond Acceptors12
Rotatable Bonds30
Heavy Atoms43
Complexity—

Lipinski Rule of Five

3 violations

RuleValue
MW ≤ 500693.14
LogP ≤ 55.39
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 1012

Computed Properties (RDKit)

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

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Related Compounds

3,3-bis(triethoxysilyl)propane-1-thiol
CID 91095961
[3-[3,3-bis(triethoxysilyl)propyltetrasulfanyl]-1-triethoxysilylpropyl]-triethoxysilane
CID 23283769
triethoxy(5-methylhexan-3-yl)silane
CID 175575145
2-triethoxysilylbutane-1,4-diamine
CID 89315608
3,3-dimethylbutan-2-yl(triethoxy)silane
CID 91365282
lithium;[bis(triethoxysilyl)methylsulfanyl-triethoxysilylmethyl]-triethoxysilane;hydride
CID 173214345
alumane;diethoxy(dimethyl)silane
CID 175326080
(3,3-difluoro-4-triethoxysilylpentan-2-yl)-triethoxysilane
CID 87839555
silane;triethoxy(1-methoxypropyl)silane
CID 175591371
1-bromohexan-2-yl(triethoxy)silane
CID 142614028
1-triethoxysilyl-N-trimethylsilylethanamine
CID 89350066
N,N-dimethyl-2-triethoxysilylpropan-1-amine
CID 23051840

Frequently Asked Questions

What is the IUPAC name of triethoxy-[1,3,3-tris(triethoxysilyl)propyl]silane?
The IUPAC name of triethoxy-[1,3,3-tris(triethoxysilyl)propyl]silane (CID 22222937) is triethoxy-[1,3,3-tris(triethoxysilyl)propyl]silane.
What is the SMILES notation for triethoxy-[1,3,3-tris(triethoxysilyl)propyl]silane?
The canonical SMILES for triethoxy-[1,3,3-tris(triethoxysilyl)propyl]silane is CCO[Si](OCC)(OCC)C(CC([Si](OCC)(OCC)OCC)[Si](OCC)(OCC)OCC)[Si](OCC)(OCC)OCC.
What is the InChIKey of triethoxy-[1,3,3-tris(triethoxysilyl)propyl]silane?
The InChIKey is KOOBYGHADWYIKP-UHFFFAOYSA-N. The full InChI is InChI=1S/C27H64O12Si4/c1-13-28-40(29-14-2,30-15-3)26(41(31-16-4,32-17-5)33-18-6)25-27(42(34-19-7,35-20-8)36-21-9)43(37-22-10,38-23-11)39-24-12/h26-27H,13-25H2,1-12H3.
What are the key properties of triethoxy-[1,3,3-tris(triethoxysilyl)propyl]silane?
triethoxy-[1,3,3-tris(triethoxysilyl)propyl]silane has a molecular weight of 693.14 g/mol, XLogP of 5.39, 30 rotatable bonds, 0 hydrogen bond donors, and 12 hydrogen bond acceptors.
Where does this data come from?
All data for triethoxy-[1,3,3-tris(triethoxysilyl)propyl]silane is sourced from PubChem (CID 22222937), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).