methyl 11-[chloro(dimethyl)silyl]undecanoate

C14H29ClO2Si — CID 2757369

IUPACmethyl 11-[chloro(dimethyl)silyl]undecanoate
SMILESCOC(=O)CCCCCCCCCC[Si](C)(C)Cl
InChIInChI=1S/C14H29ClO2Si/c1-17-14(16)12-10-8-6-4-5-7-9-11-13-18(2,3)15/h4-13H2,1-3H3
InChIKeyZTVPSFFFPDOOLA-UHFFFAOYSA-N
MW292.92 g/mol
LogP5.11
Rot. Bonds11

About methyl 11-[chloro(dimethyl)silyl]undecanoate

methyl 11-[chloro(dimethyl)silyl]undecanoate (PubChem CID 2757369) has the molecular formula C14H29ClO2Si and a molecular weight of 292.92 g/mol. Its IUPAC name is methyl 11-[chloro(dimethyl)silyl]undecanoate.

Molecular Properties

Compound Namemethyl 11-[chloro(dimethyl)silyl]undecanoate
PubChem CID2757369
Molecular FormulaC14H29ClO2Si
Molecular Weight292.92 g/mol
Exact Mass292.16
IUPAC Namemethyl 11-[chloro(dimethyl)silyl]undecanoate
SMILESCOC(=O)CCCCCCCCCC[Si](C)(C)Cl
InChIInChI=1S/C14H29ClO2Si/c1-17-14(16)12-10-8-6-4-5-7-9-11-13-18(2,3)15/h4-13H2,1-3H3
InChIKeyZTVPSFFFPDOOLA-UHFFFAOYSA-N
XLogP5.11
TPSA26.30 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds11
Heavy Atoms18
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500292.92
LogP ≤ 55.11
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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Frequently Asked Questions

What is the IUPAC name of methyl 11-[chloro(dimethyl)silyl]undecanoate?
The IUPAC name of methyl 11-[chloro(dimethyl)silyl]undecanoate (CID 2757369) is methyl 11-[chloro(dimethyl)silyl]undecanoate.
What is the SMILES notation for methyl 11-[chloro(dimethyl)silyl]undecanoate?
The canonical SMILES for methyl 11-[chloro(dimethyl)silyl]undecanoate is COC(=O)CCCCCCCCCC[Si](C)(C)Cl.
What is the InChIKey of methyl 11-[chloro(dimethyl)silyl]undecanoate?
The InChIKey is ZTVPSFFFPDOOLA-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H29ClO2Si/c1-17-14(16)12-10-8-6-4-5-7-9-11-13-18(2,3)15/h4-13H2,1-3H3.
What are the key properties of methyl 11-[chloro(dimethyl)silyl]undecanoate?
methyl 11-[chloro(dimethyl)silyl]undecanoate has a molecular weight of 292.92 g/mol, XLogP of 5.11, 11 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for methyl 11-[chloro(dimethyl)silyl]undecanoate is sourced from PubChem (CID 2757369), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).