4,6-dimethyl-1,9-bis(triethoxysilyl)nonan-5-one

C23H50O7Si2 — CID 87593623

IUPAC4,6-dimethyl-1,9-bis(triethoxysilyl)nonan-5-one
SMILESCCO[Si](CCCC(C)C(=O)C(C)CCC[Si](OCC)(OCC)OCC)(OCC)OCC
InChIInChI=1S/C23H50O7Si2/c1-9-25-31(26-10-2,27-11-3)19-15-17-21(7)23(24)22(8)18-16-20-32(28-12-4,29-13-5)30-14-6/h21-22H,9-20H2,1-8H3
InChIKeyGFWDSRKWXYDBTH-UHFFFAOYSA-N
MW494.82 g/mol
LogP5.48
Rot. Bonds22

About 4,6-dimethyl-1,9-bis(triethoxysilyl)nonan-5-one

4,6-dimethyl-1,9-bis(triethoxysilyl)nonan-5-one (PubChem CID 87593623) has the molecular formula C23H50O7Si2 and a molecular weight of 494.82 g/mol. Its IUPAC name is 4,6-dimethyl-1,9-bis(triethoxysilyl)nonan-5-one.

Molecular Properties

Compound Name4,6-dimethyl-1,9-bis(triethoxysilyl)nonan-5-one
PubChem CID87593623
Molecular FormulaC23H50O7Si2
Molecular Weight494.82 g/mol
Exact Mass494.31
IUPAC Name4,6-dimethyl-1,9-bis(triethoxysilyl)nonan-5-one
SMILESCCO[Si](CCCC(C)C(=O)C(C)CCC[Si](OCC)(OCC)OCC)(OCC)OCC
InChIInChI=1S/C23H50O7Si2/c1-9-25-31(26-10-2,27-11-3)19-15-17-21(7)23(24)22(8)18-16-20-32(28-12-4,29-13-5)30-14-6/h21-22H,9-20H2,1-8H3
InChIKeyGFWDSRKWXYDBTH-UHFFFAOYSA-N
XLogP5.48
TPSA72.45 Ų
H-Bond Donors
H-Bond Acceptors7
Rotatable Bonds22
Heavy Atoms32
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500494.82
LogP ≤ 55.48
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 107

Computed Properties (RDKit)

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

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Related Compounds

7,9-dimethyl-1,15-bis(triethoxysilyl)pentadecan-8-one
CID 87594295
1,17-bis[diethoxy(methyl)silyl]-8,10-dimethylheptadecan-9-one
CID 87593412
6,8-dimethyl-1,13-bis(trimethoxysilyl)tridecan-7-one
CID 87595275
2-methoxyethyl 2-methyl-7-triethoxysilylheptanoate
CID 160702926
5-triethoxysilylpentane-2-thiol
CID 19834372
1,9-bis(triethoxysilyl)nonan-5-one
CID 158928265
triethoxy(10-triethoxysilyldecyl)silane
CID 14439044
1-triethoxysilylheptan-4-ylurea
CID 87656666
triethoxy-[[4-triethoxysilyl-1-(triethoxysilylmethoxy)butoxy]methyl]silane
CID 165129410
propan-2-yl N-(3-triethoxysilylpropyl)carbamate
CID 87069299
triethoxy-[(E)-4-methylhept-5-enyl]silane
CID 87112293
6-triethoxysilylhexan-2-yl prop-2-enoate
CID 141250716

Frequently Asked Questions

What is the IUPAC name of 4,6-dimethyl-1,9-bis(triethoxysilyl)nonan-5-one?
The IUPAC name of 4,6-dimethyl-1,9-bis(triethoxysilyl)nonan-5-one (CID 87593623) is 4,6-dimethyl-1,9-bis(triethoxysilyl)nonan-5-one.
What is the SMILES notation for 4,6-dimethyl-1,9-bis(triethoxysilyl)nonan-5-one?
The canonical SMILES for 4,6-dimethyl-1,9-bis(triethoxysilyl)nonan-5-one is CCO[Si](CCCC(C)C(=O)C(C)CCC[Si](OCC)(OCC)OCC)(OCC)OCC.
What is the InChIKey of 4,6-dimethyl-1,9-bis(triethoxysilyl)nonan-5-one?
The InChIKey is GFWDSRKWXYDBTH-UHFFFAOYSA-N. The full InChI is InChI=1S/C23H50O7Si2/c1-9-25-31(26-10-2,27-11-3)19-15-17-21(7)23(24)22(8)18-16-20-32(28-12-4,29-13-5)30-14-6/h21-22H,9-20H2,1-8H3.
What are the key properties of 4,6-dimethyl-1,9-bis(triethoxysilyl)nonan-5-one?
4,6-dimethyl-1,9-bis(triethoxysilyl)nonan-5-one has a molecular weight of 494.82 g/mol, XLogP of 5.48, 22 rotatable bonds, 0 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for 4,6-dimethyl-1,9-bis(triethoxysilyl)nonan-5-one is sourced from PubChem (CID 87593623), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).