2-[bis(2-methylpropoxy)methylsilyl]ethyl-tris[(2-methylpropan-2-yl)oxy]silane

C23H52O5Si2 — CID 173180517

IUPAC2-[bis(2-methylpropoxy)methylsilyl]ethyl-tris[(2-methylpropan-2-yl)oxy]silane
SMILESCC(C)COC(OCC(C)C)[SiH2]CC[Si](OC(C)(C)C)(OC(C)(C)C)OC(C)(C)C
InChIInChI=1S/C23H52O5Si2/c1-18(2)16-24-20(25-17-19(3)4)29-14-15-30(26-21(5,6)7,27-22(8,9)10)28-23(11,12)13/h18-20H,14-17,29H2,1-13H3
InChIKeyQYKQECHUSFPAPN-UHFFFAOYSA-N
MW464.84 g/mol
LogP5.59
Rot. Bonds13

About 2-[bis(2-methylpropoxy)methylsilyl]ethyl-tris[(2-methylpropan-2-yl)oxy]silane

2-[bis(2-methylpropoxy)methylsilyl]ethyl-tris[(2-methylpropan-2-yl)oxy]silane (PubChem CID 173180517) has the molecular formula C23H52O5Si2 and a molecular weight of 464.84 g/mol. Its IUPAC name is 2-[bis(2-methylpropoxy)methylsilyl]ethyl-tris[(2-methylpropan-2-yl)oxy]silane.

Molecular Properties

Compound Name2-[bis(2-methylpropoxy)methylsilyl]ethyl-tris[(2-methylpropan-2-yl)oxy]silane
PubChem CID173180517
Molecular FormulaC23H52O5Si2
Molecular Weight464.84 g/mol
Exact Mass464.34
IUPAC Name2-[bis(2-methylpropoxy)methylsilyl]ethyl-tris[(2-methylpropan-2-yl)oxy]silane
SMILESCC(C)COC(OCC(C)C)[SiH2]CC[Si](OC(C)(C)C)(OC(C)(C)C)OC(C)(C)C
InChIInChI=1S/C23H52O5Si2/c1-18(2)16-24-20(25-17-19(3)4)29-14-15-30(26-21(5,6)7,27-22(8,9)10)28-23(11,12)13/h18-20H,14-17,29H2,1-13H3
InChIKeyQYKQECHUSFPAPN-UHFFFAOYSA-N
XLogP5.59
TPSA46.15 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds13
Heavy Atoms30
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500464.84
LogP ≤ 55.59
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

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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Frequently Asked Questions

What is the IUPAC name of 2-[bis(2-methylpropoxy)methylsilyl]ethyl-tris[(2-methylpropan-2-yl)oxy]silane?
The IUPAC name of 2-[bis(2-methylpropoxy)methylsilyl]ethyl-tris[(2-methylpropan-2-yl)oxy]silane (CID 173180517) is 2-[bis(2-methylpropoxy)methylsilyl]ethyl-tris[(2-methylpropan-2-yl)oxy]silane.
What is the SMILES notation for 2-[bis(2-methylpropoxy)methylsilyl]ethyl-tris[(2-methylpropan-2-yl)oxy]silane?
The canonical SMILES for 2-[bis(2-methylpropoxy)methylsilyl]ethyl-tris[(2-methylpropan-2-yl)oxy]silane is CC(C)COC(OCC(C)C)[SiH2]CC[Si](OC(C)(C)C)(OC(C)(C)C)OC(C)(C)C.
What is the InChIKey of 2-[bis(2-methylpropoxy)methylsilyl]ethyl-tris[(2-methylpropan-2-yl)oxy]silane?
The InChIKey is QYKQECHUSFPAPN-UHFFFAOYSA-N. The full InChI is InChI=1S/C23H52O5Si2/c1-18(2)16-24-20(25-17-19(3)4)29-14-15-30(26-21(5,6)7,27-22(8,9)10)28-23(11,12)13/h18-20H,14-17,29H2,1-13H3.
What are the key properties of 2-[bis(2-methylpropoxy)methylsilyl]ethyl-tris[(2-methylpropan-2-yl)oxy]silane?
2-[bis(2-methylpropoxy)methylsilyl]ethyl-tris[(2-methylpropan-2-yl)oxy]silane has a molecular weight of 464.84 g/mol, XLogP of 5.59, 13 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[bis(2-methylpropoxy)methylsilyl]ethyl-tris[(2-methylpropan-2-yl)oxy]silane is sourced from PubChem (CID 173180517), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).