[dimethyl(trimethylsilyl)silyl] heptanoate

C12H28O2Si2 — CID 554818

IUPAC[dimethyl(trimethylsilyl)silyl] heptanoate
SMILESCCCCCCC(=O)O[Si](C)(C)[Si](C)(C)C
InChIInChI=1S/C12H28O2Si2/c1-7-8-9-10-11-12(13)14-16(5,6)15(2,3)4/h7-11H2,1-6H3
InChIKeyBSZUUJGGDBBTFE-UHFFFAOYSA-N
MW260.53 g/mol
LogP4.12
Rot. Bonds7

About [dimethyl(trimethylsilyl)silyl] heptanoate

[dimethyl(trimethylsilyl)silyl] heptanoate (PubChem CID 554818) has the molecular formula C12H28O2Si2 and a molecular weight of 260.53 g/mol. Its IUPAC name is [dimethyl(trimethylsilyl)silyl] heptanoate.

Molecular Properties

Compound Name[dimethyl(trimethylsilyl)silyl] heptanoate
PubChem CID554818
Molecular FormulaC12H28O2Si2
Molecular Weight260.53 g/mol
Exact Mass260.16
IUPAC Name[dimethyl(trimethylsilyl)silyl] heptanoate
SMILESCCCCCCC(=O)O[Si](C)(C)[Si](C)(C)C
InChIInChI=1S/C12H28O2Si2/c1-7-8-9-10-11-12(13)14-16(5,6)15(2,3)4/h7-11H2,1-6H3
InChIKeyBSZUUJGGDBBTFE-UHFFFAOYSA-N
XLogP4.12
TPSA26.30 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds7
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500260.53
LogP ≤ 54.12
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

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Related Compounds

trimethylsilyl icosanoate
CID 521648
[hexyl(dimethyl)silyl] octadecanoate
CID 175031118
[tert-butyl(dimethyl)silyl] tetradecanoate
CID 528599
[chloromethyl(dimethyl)silyl] octanoate
CID 554833
[dimethyl(propan-2-yl)silyl] hexadecanoate
CID 628588
[tert-butyl(dimethyl)silyl] heptacosanoate
CID 91752633
trimethylsilyl (E)-octadec-11-enoate
CID 5366419
pentadecanoyl hexadecanoate
CID 87499774
heptadecanoyl heptadecaneperoxoate
CID 53438513
henicosanoyl docosanoate
CID 175302110
ditetradecanoyl hexanedioate
CID 175560209
hexatriacontanoyl heptatriacontanoate
CID 135353262

Frequently Asked Questions

What is the IUPAC name of [dimethyl(trimethylsilyl)silyl] heptanoate?
The IUPAC name of [dimethyl(trimethylsilyl)silyl] heptanoate (CID 554818) is [dimethyl(trimethylsilyl)silyl] heptanoate.
What is the SMILES notation for [dimethyl(trimethylsilyl)silyl] heptanoate?
The canonical SMILES for [dimethyl(trimethylsilyl)silyl] heptanoate is CCCCCCC(=O)O[Si](C)(C)[Si](C)(C)C.
What is the InChIKey of [dimethyl(trimethylsilyl)silyl] heptanoate?
The InChIKey is BSZUUJGGDBBTFE-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H28O2Si2/c1-7-8-9-10-11-12(13)14-16(5,6)15(2,3)4/h7-11H2,1-6H3.
What are the key properties of [dimethyl(trimethylsilyl)silyl] heptanoate?
[dimethyl(trimethylsilyl)silyl] heptanoate has a molecular weight of 260.53 g/mol, XLogP of 4.12, 7 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for [dimethyl(trimethylsilyl)silyl] heptanoate is sourced from PubChem (CID 554818), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).