trimethoxy-[2-methyl-3,6,6-tri(propan-2-yl)-9-trimethoxysilylnonan-3-yl]silane

C25H56O6Si2 — CID 87859458

IUPACtrimethoxy-[2-methyl-3,6,6-tri(propan-2-yl)-9-trimethoxysilylnonan-3-yl]silane
SMILESCO[Si](CCCC(CCC(C(C)C)(C(C)C)[Si](OC)(OC)OC)(C(C)C)C(C)C)(OC)OC
InChIInChI=1S/C25H56O6Si2/c1-20(2)24(21(3)4,16-15-19-32(26-9,27-10)28-11)17-18-25(22(5)6,23(7)8)33(29-12,30-13)31-14/h20-23H,15-19H2,1-14H3
InChIKeyQZTSQVYRPYOYDT-UHFFFAOYSA-N
MW508.89 g/mol
LogP6.65
Rot. Bonds18

About trimethoxy-[2-methyl-3,6,6-tri(propan-2-yl)-9-trimethoxysilylnonan-3-yl]silane

trimethoxy-[2-methyl-3,6,6-tri(propan-2-yl)-9-trimethoxysilylnonan-3-yl]silane (PubChem CID 87859458) has the molecular formula C25H56O6Si2 and a molecular weight of 508.89 g/mol. Its IUPAC name is trimethoxy-[2-methyl-3,6,6-tri(propan-2-yl)-9-trimethoxysilylnonan-3-yl]silane.

Molecular Properties

Compound Nametrimethoxy-[2-methyl-3,6,6-tri(propan-2-yl)-9-trimethoxysilylnonan-3-yl]silane
PubChem CID87859458
Molecular FormulaC25H56O6Si2
Molecular Weight508.89 g/mol
Exact Mass508.36
IUPAC Nametrimethoxy-[2-methyl-3,6,6-tri(propan-2-yl)-9-trimethoxysilylnonan-3-yl]silane
SMILESCO[Si](CCCC(CCC(C(C)C)(C(C)C)[Si](OC)(OC)OC)(C(C)C)C(C)C)(OC)OC
InChIInChI=1S/C25H56O6Si2/c1-20(2)24(21(3)4,16-15-19-32(26-9,27-10)28-11)17-18-25(22(5)6,23(7)8)33(29-12,30-13)31-14/h20-23H,15-19H2,1-14H3
InChIKeyQZTSQVYRPYOYDT-UHFFFAOYSA-N
XLogP6.65
TPSA55.38 Ų
H-Bond Donors
H-Bond Acceptors6
Rotatable Bonds18
Heavy Atoms33
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500508.89
LogP ≤ 56.65
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 106

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 trimethoxy-[2-methyl-3,6,6-tri(propan-2-yl)-9-trimethoxysilylnonan-3-yl]silane?
The IUPAC name of trimethoxy-[2-methyl-3,6,6-tri(propan-2-yl)-9-trimethoxysilylnonan-3-yl]silane (CID 87859458) is trimethoxy-[2-methyl-3,6,6-tri(propan-2-yl)-9-trimethoxysilylnonan-3-yl]silane.
What is the SMILES notation for trimethoxy-[2-methyl-3,6,6-tri(propan-2-yl)-9-trimethoxysilylnonan-3-yl]silane?
The canonical SMILES for trimethoxy-[2-methyl-3,6,6-tri(propan-2-yl)-9-trimethoxysilylnonan-3-yl]silane is CO[Si](CCCC(CCC(C(C)C)(C(C)C)[Si](OC)(OC)OC)(C(C)C)C(C)C)(OC)OC.
What is the InChIKey of trimethoxy-[2-methyl-3,6,6-tri(propan-2-yl)-9-trimethoxysilylnonan-3-yl]silane?
The InChIKey is QZTSQVYRPYOYDT-UHFFFAOYSA-N. The full InChI is InChI=1S/C25H56O6Si2/c1-20(2)24(21(3)4,16-15-19-32(26-9,27-10)28-11)17-18-25(22(5)6,23(7)8)33(29-12,30-13)31-14/h20-23H,15-19H2,1-14H3.
What are the key properties of trimethoxy-[2-methyl-3,6,6-tri(propan-2-yl)-9-trimethoxysilylnonan-3-yl]silane?
trimethoxy-[2-methyl-3,6,6-tri(propan-2-yl)-9-trimethoxysilylnonan-3-yl]silane has a molecular weight of 508.89 g/mol, XLogP of 6.65, 18 rotatable bonds, 0 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for trimethoxy-[2-methyl-3,6,6-tri(propan-2-yl)-9-trimethoxysilylnonan-3-yl]silane is sourced from PubChem (CID 87859458), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).