3,5-dimethyl-1,7-bis(trimethoxysilyl)heptan-4-one

C15H34O7Si2 — CID 87594651

IUPAC3,5-dimethyl-1,7-bis(trimethoxysilyl)heptan-4-one
SMILESCO[Si](CCC(C)C(=O)C(C)CC[Si](OC)(OC)OC)(OC)OC
InChIInChI=1S/C15H34O7Si2/c1-13(9-11-23(17-3,18-4)19-5)15(16)14(2)10-12-24(20-6,21-7)22-8/h13-14H,9-12H2,1-8H3
InChIKeyNWERDIYYGIRSTE-UHFFFAOYSA-N
MW382.60 g/mol
LogP2.36
Rot. Bonds14

About 3,5-dimethyl-1,7-bis(trimethoxysilyl)heptan-4-one

3,5-dimethyl-1,7-bis(trimethoxysilyl)heptan-4-one (PubChem CID 87594651) has the molecular formula C15H34O7Si2 and a molecular weight of 382.60 g/mol. Its IUPAC name is 3,5-dimethyl-1,7-bis(trimethoxysilyl)heptan-4-one.

Molecular Properties

Compound Name3,5-dimethyl-1,7-bis(trimethoxysilyl)heptan-4-one
PubChem CID87594651
Molecular FormulaC15H34O7Si2
Molecular Weight382.60 g/mol
Exact Mass382.18
IUPAC Name3,5-dimethyl-1,7-bis(trimethoxysilyl)heptan-4-one
SMILESCO[Si](CCC(C)C(=O)C(C)CC[Si](OC)(OC)OC)(OC)OC
InChIInChI=1S/C15H34O7Si2/c1-13(9-11-23(17-3,18-4)19-5)15(16)14(2)10-12-24(20-6,21-7)22-8/h13-14H,9-12H2,1-8H3
InChIKeyNWERDIYYGIRSTE-UHFFFAOYSA-N
XLogP2.36
TPSA72.45 Ų
H-Bond Donors
H-Bond Acceptors7
Rotatable Bonds14
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500382.60
LogP ≤ 52.36
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

3-[3-(Trimethoxysilyl)propyl]pentane-2,4-dione
CID 15041690
3-[3-(Triethoxysilyl)propyl]pentane-2,4-dione
CID 15717282
5-Methyl-1-triethoxysilylheptan-4-one
CID 58479044
5-Methyl-1-trimethoxysilylheptan-4-one
CID 58479045
3-Methyl-1-trimethoxysilylpentan-2-one
CID 58805561
1-[[[Butyl(dimethyl)silyl]oxy-dimethylsilyl]oxy-dimethylsilyl]-5-methylheptan-4-one
CID 59623649
3-[2,4-Bis(triethoxysilyl)butyl]pentane-2,4-dione
CID 86093852
4,6-Diethyl-1,9-bis(triethoxysilyl)nonan-5-one
CID 87593230
1,9-Bis[diethoxy(methyl)silyl]-4,6-diethylnonan-5-one
CID 87593246
1,9-Bis[dimethoxy(methyl)silyl]-4,6-dimethylnonan-5-one
CID 87593353
1,7-Bis[dimethoxy(methyl)silyl]-3,5-diethylheptan-4-one
CID 87593358
1,11-Bis[dimethoxy(methyl)silyl]-5,7-diethylundecan-6-one
CID 87593394

Frequently Asked Questions

What is the IUPAC name of 3,5-dimethyl-1,7-bis(trimethoxysilyl)heptan-4-one?
The IUPAC name of 3,5-dimethyl-1,7-bis(trimethoxysilyl)heptan-4-one (CID 87594651) is 3,5-dimethyl-1,7-bis(trimethoxysilyl)heptan-4-one.
What is the SMILES notation for 3,5-dimethyl-1,7-bis(trimethoxysilyl)heptan-4-one?
The canonical SMILES for 3,5-dimethyl-1,7-bis(trimethoxysilyl)heptan-4-one is CO[Si](CCC(C)C(=O)C(C)CC[Si](OC)(OC)OC)(OC)OC.
What is the InChIKey of 3,5-dimethyl-1,7-bis(trimethoxysilyl)heptan-4-one?
The InChIKey is NWERDIYYGIRSTE-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H34O7Si2/c1-13(9-11-23(17-3,18-4)19-5)15(16)14(2)10-12-24(20-6,21-7)22-8/h13-14H,9-12H2,1-8H3.
What are the key properties of 3,5-dimethyl-1,7-bis(trimethoxysilyl)heptan-4-one?
3,5-dimethyl-1,7-bis(trimethoxysilyl)heptan-4-one has a molecular weight of 382.60 g/mol, XLogP of 2.36, 14 rotatable bonds, 0 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for 3,5-dimethyl-1,7-bis(trimethoxysilyl)heptan-4-one is sourced from PubChem (CID 87594651), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).