tridodecylsilyl acetate

C38H78O2Si — CID 22926548

IUPACtridodecylsilyl acetate
SMILESCCCCCCCCCCCC[Si](CCCCCCCCCCCC)(CCCCCCCCCCCC)OC(C)=O
InChIInChI=1S/C38H78O2Si/c1-5-8-11-14-17-20-23-26-29-32-35-41(40-38(4)39,36-33-30-27-24-21-18-15-12-9-6-2)37-34-31-28-25-22-19-16-13-10-7-3/h5-37H2,1-4H3
InChIKeyUBJJRWYLCZNSME-UHFFFAOYSA-N
MW595.13 g/mol
LogP14.26
Rot. Bonds34

About tridodecylsilyl acetate

tridodecylsilyl acetate (PubChem CID 22926548) has the molecular formula C38H78O2Si and a molecular weight of 595.13 g/mol. Its IUPAC name is tridodecylsilyl acetate.

Molecular Properties

Compound Nametridodecylsilyl acetate
PubChem CID22926548
Molecular FormulaC38H78O2Si
Molecular Weight595.13 g/mol
Exact Mass594.58
IUPAC Nametridodecylsilyl acetate
SMILESCCCCCCCCCCCC[Si](CCCCCCCCCCCC)(CCCCCCCCCCCC)OC(C)=O
InChIInChI=1S/C38H78O2Si/c1-5-8-11-14-17-20-23-26-29-32-35-41(40-38(4)39,36-33-30-27-24-21-18-15-12-9-6-2)37-34-31-28-25-22-19-16-13-10-7-3/h5-37H2,1-4H3
InChIKeyUBJJRWYLCZNSME-UHFFFAOYSA-N
XLogP14.26
TPSA26.30 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds34
Heavy Atoms41
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500595.13
LogP ≤ 514.26
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

[3-[acetyloxy(dibutyl)silyl]propyl-dibutylsilyl] acetate
CID 87144314
trioctylsilyl 4-chlorobutanoate
CID 87706468
[acetyloxy-[8-[diacetyloxy(methyl)silyl]octyl]-methylsilyl] acetate
CID 154117413
1-O-octyl 4-O-trihexylsilyl but-2-enedioate
CID 123602315
[butyl(dimethyl)silyl] acetate
CID 22926546
ethaneperoxoic acid;octane
CID 87879495
3-trioctylsilyloxycarbonylhexadec-2-enoic acid
CID 54492547
1-O-[dibutyl(octyl)silyl] 4-O-methyl 2-methylidenebutanedioate
CID 19063311
tributylsilyl butanoate
CID 615215
[acetyloxy-[3-(2-methylprop-2-enoylamino)propyl]-octylsilyl] acetate
CID 88654942
[diacetyloxy(hexadecan-4-yl)silyl] acetate
CID 141437512
ethyl acetate;decakis(heptane)
CID 173339657

Frequently Asked Questions

What is the IUPAC name of tridodecylsilyl acetate?
The IUPAC name of tridodecylsilyl acetate (CID 22926548) is tridodecylsilyl acetate.
What is the SMILES notation for tridodecylsilyl acetate?
The canonical SMILES for tridodecylsilyl acetate is CCCCCCCCCCCC[Si](CCCCCCCCCCCC)(CCCCCCCCCCCC)OC(C)=O.
What is the InChIKey of tridodecylsilyl acetate?
The InChIKey is UBJJRWYLCZNSME-UHFFFAOYSA-N. The full InChI is InChI=1S/C38H78O2Si/c1-5-8-11-14-17-20-23-26-29-32-35-41(40-38(4)39,36-33-30-27-24-21-18-15-12-9-6-2)37-34-31-28-25-22-19-16-13-10-7-3/h5-37H2,1-4H3.
What are the key properties of tridodecylsilyl acetate?
tridodecylsilyl acetate has a molecular weight of 595.13 g/mol, XLogP of 14.26, 34 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for tridodecylsilyl acetate is sourced from PubChem (CID 22926548), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).