[2-[1,1-bis(2-triethoxysilylsilyloxan-2-yl)ethyl]oxan-2-yl]silyl-triethoxysilane

C35H78O12Si6 — CID 175388199

IUPAC[2-[1,1-bis(2-triethoxysilylsilyloxan-2-yl)ethyl]oxan-2-yl]silyl-triethoxysilane
SMILESCCO[Si](OCC)(OCC)[SiH2]C1(C(C)(C2([SiH2][Si](OCC)(OCC)OCC)CCCCO2)C2([SiH2][Si](OCC)(OCC)OCC)CCCCO2)CCCCO1
InChIInChI=1S/C35H78O12Si6/c1-11-39-51(40-12-2,41-13-3)48-33(26-20-23-29-36-33)32(10,34(27-21-24-30-37-34)49-52(42-14-4,43-15-5)44-16-6)35(28-22-25-31-38-35)50-53(45-17-7,46-18-8)47-19-9/h11-31,48-50H2,1-10H3
InChIKeySXPPWTTWEWIBAY-UHFFFAOYSA-N
MW859.51 g/mol
LogP3.82
Rot. Bonds27

About [2-[1,1-bis(2-triethoxysilylsilyloxan-2-yl)ethyl]oxan-2-yl]silyl-triethoxysilane

[2-[1,1-bis(2-triethoxysilylsilyloxan-2-yl)ethyl]oxan-2-yl]silyl-triethoxysilane (PubChem CID 175388199) has the molecular formula C35H78O12Si6 and a molecular weight of 859.51 g/mol. Its IUPAC name is [2-[1,1-bis(2-triethoxysilylsilyloxan-2-yl)ethyl]oxan-2-yl]silyl-triethoxysilane.

Molecular Properties

Compound Name[2-[1,1-bis(2-triethoxysilylsilyloxan-2-yl)ethyl]oxan-2-yl]silyl-triethoxysilane
PubChem CID175388199
Molecular FormulaC35H78O12Si6
Molecular Weight859.51 g/mol
Exact Mass858.41
IUPAC Name[2-[1,1-bis(2-triethoxysilylsilyloxan-2-yl)ethyl]oxan-2-yl]silyl-triethoxysilane
SMILESCCO[Si](OCC)(OCC)[SiH2]C1(C(C)(C2([SiH2][Si](OCC)(OCC)OCC)CCCCO2)C2([SiH2][Si](OCC)(OCC)OCC)CCCCO2)CCCCO1
InChIInChI=1S/C35H78O12Si6/c1-11-39-51(40-12-2,41-13-3)48-33(26-20-23-29-36-33)32(10,34(27-21-24-30-37-34)49-52(42-14-4,43-15-5)44-16-6)35(28-22-25-31-38-35)50-53(45-17-7,46-18-8)47-19-9/h11-31,48-50H2,1-10H3
InChIKeySXPPWTTWEWIBAY-UHFFFAOYSA-N
XLogP3.82
TPSA110.76 Ų
H-Bond Donors
H-Bond Acceptors12
Rotatable Bonds27
Heavy Atoms53
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500859.51
LogP ≤ 53.82
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 1012

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of [2-[1,1-bis(2-triethoxysilylsilyloxan-2-yl)ethyl]oxan-2-yl]silyl-triethoxysilane?
The IUPAC name of [2-[1,1-bis(2-triethoxysilylsilyloxan-2-yl)ethyl]oxan-2-yl]silyl-triethoxysilane (CID 175388199) is [2-[1,1-bis(2-triethoxysilylsilyloxan-2-yl)ethyl]oxan-2-yl]silyl-triethoxysilane.
What is the SMILES notation for [2-[1,1-bis(2-triethoxysilylsilyloxan-2-yl)ethyl]oxan-2-yl]silyl-triethoxysilane?
The canonical SMILES for [2-[1,1-bis(2-triethoxysilylsilyloxan-2-yl)ethyl]oxan-2-yl]silyl-triethoxysilane is CCO[Si](OCC)(OCC)[SiH2]C1(C(C)(C2([SiH2][Si](OCC)(OCC)OCC)CCCCO2)C2([SiH2][Si](OCC)(OCC)OCC)CCCCO2)CCCCO1.
What is the InChIKey of [2-[1,1-bis(2-triethoxysilylsilyloxan-2-yl)ethyl]oxan-2-yl]silyl-triethoxysilane?
The InChIKey is SXPPWTTWEWIBAY-UHFFFAOYSA-N. The full InChI is InChI=1S/C35H78O12Si6/c1-11-39-51(40-12-2,41-13-3)48-33(26-20-23-29-36-33)32(10,34(27-21-24-30-37-34)49-52(42-14-4,43-15-5)44-16-6)35(28-22-25-31-38-35)50-53(45-17-7,46-18-8)47-19-9/h11-31,48-50H2,1-10H3.
What are the key properties of [2-[1,1-bis(2-triethoxysilylsilyloxan-2-yl)ethyl]oxan-2-yl]silyl-triethoxysilane?
[2-[1,1-bis(2-triethoxysilylsilyloxan-2-yl)ethyl]oxan-2-yl]silyl-triethoxysilane has a molecular weight of 859.51 g/mol, XLogP of 3.82, 27 rotatable bonds, 0 hydrogen bond donors, and 12 hydrogen bond acceptors.
Where does this data come from?
All data for [2-[1,1-bis(2-triethoxysilylsilyloxan-2-yl)ethyl]oxan-2-yl]silyl-triethoxysilane is sourced from PubChem (CID 175388199), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).