trichlorosilylmethyl decanoate

C11H21Cl3O2Si — CID 140752978

IUPACtrichlorosilylmethyl decanoate
SMILESCCCCCCCCCC(=O)OC[Si](Cl)(Cl)Cl
InChIInChI=1S/C11H21Cl3O2Si/c1-2-3-4-5-6-7-8-9-11(15)16-10-17(12,13)14/h2-10H2,1H3
InChIKeyQPWHLLKLDQDENW-UHFFFAOYSA-N
MW319.73 g/mol
LogP4.86
Rot. Bonds10

About trichlorosilylmethyl decanoate

trichlorosilylmethyl decanoate (PubChem CID 140752978) has the molecular formula C11H21Cl3O2Si and a molecular weight of 319.73 g/mol. Its IUPAC name is trichlorosilylmethyl decanoate.

Molecular Properties

Compound Nametrichlorosilylmethyl decanoate
PubChem CID140752978
Molecular FormulaC11H21Cl3O2Si
Molecular Weight319.73 g/mol
Exact Mass318.04
IUPAC Nametrichlorosilylmethyl decanoate
SMILESCCCCCCCCCC(=O)OC[Si](Cl)(Cl)Cl
InChIInChI=1S/C11H21Cl3O2Si/c1-2-3-4-5-6-7-8-9-11(15)16-10-17(12,13)14/h2-10H2,1H3
InChIKeyQPWHLLKLDQDENW-UHFFFAOYSA-N
XLogP4.86
TPSA26.30 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds10
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500319.73
LogP ≤ 54.86
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'}, {'alert_name': 'silicon_halogen', 'substructure': 'N/A'}

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Related Compounds

chloromethyl hexadecanoate
CID 13014287
(1,1,2,2-tetradeuterio-2-dodecanoyloxyethyl) dodecanoate
CID 169440171
pentakis(ethyl octanoate);hexane
CID 173194775
ethyl tetradecanoate
CID 89052756
bis(2-tetradecanoyloxyethyl) decanedioate
CID 176638413
CID 87572227
CID 87572227
2-henicosanoyloxyethyl henicosanoate
CID 54483902
ethyl undecanoate
CID 12327
ethyl decanoate;methanol
CID 161391102
dinonyl decanedioate
CID 20075
7-O-hexadecyl 1-O-octyl heptanedioate
CID 91718441
docosyl docosanoate;docosyl octadecanoate
CID 175861310

Frequently Asked Questions

What is the IUPAC name of trichlorosilylmethyl decanoate?
The IUPAC name of trichlorosilylmethyl decanoate (CID 140752978) is trichlorosilylmethyl decanoate.
What is the SMILES notation for trichlorosilylmethyl decanoate?
The canonical SMILES for trichlorosilylmethyl decanoate is CCCCCCCCCC(=O)OC[Si](Cl)(Cl)Cl.
What is the InChIKey of trichlorosilylmethyl decanoate?
The InChIKey is QPWHLLKLDQDENW-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H21Cl3O2Si/c1-2-3-4-5-6-7-8-9-11(15)16-10-17(12,13)14/h2-10H2,1H3.
What are the key properties of trichlorosilylmethyl decanoate?
trichlorosilylmethyl decanoate has a molecular weight of 319.73 g/mol, XLogP of 4.86, 10 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for trichlorosilylmethyl decanoate is sourced from PubChem (CID 140752978), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).