methyl 11-[chloro(diphenyl)silyl]undecanoate

C24H33ClO2Si — CID 101109981

IUPACmethyl 11-[chloro(diphenyl)silyl]undecanoate
SMILESCOC(=O)CCCCCCCCCC[Si](Cl)(c1ccccc1)c1ccccc1
InChIInChI=1S/C24H33ClO2Si/c1-27-24(26)20-14-6-4-2-3-5-7-15-21-28(25,22-16-10-8-11-17-22)23-18-12-9-13-19-23/h8-13,16-19H,2-7,14-15,20-21H2,1H3
InChIKeyBBDQPXJAULEJNX-UHFFFAOYSA-N
MW417.07 g/mol
LogP5.67
Rot. Bonds13

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

methyl 11-[chloro(diphenyl)silyl]undecanoate (PubChem CID 101109981) has the molecular formula C24H33ClO2Si and a molecular weight of 417.07 g/mol. Its IUPAC name is methyl 11-[chloro(diphenyl)silyl]undecanoate.

Molecular Properties

Compound Namemethyl 11-[chloro(diphenyl)silyl]undecanoate
PubChem CID101109981
Molecular FormulaC24H33ClO2Si
Molecular Weight417.07 g/mol
Exact Mass416.19
IUPAC Namemethyl 11-[chloro(diphenyl)silyl]undecanoate
SMILESCOC(=O)CCCCCCCCCC[Si](Cl)(c1ccccc1)c1ccccc1
InChIInChI=1S/C24H33ClO2Si/c1-27-24(26)20-14-6-4-2-3-5-7-15-21-28(25,22-16-10-8-11-17-22)23-18-12-9-13-19-23/h8-13,16-19H,2-7,14-15,20-21H2,1H3
InChIKeyBBDQPXJAULEJNX-UHFFFAOYSA-N
XLogP5.67
TPSA26.30 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds13
Heavy Atoms28
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500417.07
LogP ≤ 55.67
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

methyl 20-trichlorosilylicosanoate
CID 153307616
methyl 10-[chloro(diphenyl)silyl]octadecanoate
CID 101109985
1,1'-biphenyl;methyl tetradecanoate
CID 175273282
(15-methoxy-15-oxopentadecyl)-triphenylphosphanium
CID 10508386
dimethyl tricosanedioate
CID 12632762
bis(dimethyl decanedioate);dimethyl hexanedioate
CID 90703426
dimethyl dotriacontanedioate
CID 14325565
methyl 8-hydroxy-8-phenyloctanoate
CID 139616789
methyl 8-oxo-8-(2-phenylethylamino)octanoate
CID 42600200
methyl (E)-7-[tert-butyl(diphenyl)silyl]oxyhept-6-enoate
CID 101065949
(5-methoxy-5-oxopentyl)-triphenylphosphanium
CID 3630851
methyl 8-phenylmethoxyoctanoate
CID 562206

Frequently Asked Questions

What is the IUPAC name of methyl 11-[chloro(diphenyl)silyl]undecanoate?
The IUPAC name of methyl 11-[chloro(diphenyl)silyl]undecanoate (CID 101109981) is methyl 11-[chloro(diphenyl)silyl]undecanoate.
What is the SMILES notation for methyl 11-[chloro(diphenyl)silyl]undecanoate?
The canonical SMILES for methyl 11-[chloro(diphenyl)silyl]undecanoate is COC(=O)CCCCCCCCCC[Si](Cl)(c1ccccc1)c1ccccc1.
What is the InChIKey of methyl 11-[chloro(diphenyl)silyl]undecanoate?
The InChIKey is BBDQPXJAULEJNX-UHFFFAOYSA-N. The full InChI is InChI=1S/C24H33ClO2Si/c1-27-24(26)20-14-6-4-2-3-5-7-15-21-28(25,22-16-10-8-11-17-22)23-18-12-9-13-19-23/h8-13,16-19H,2-7,14-15,20-21H2,1H3.
What are the key properties of methyl 11-[chloro(diphenyl)silyl]undecanoate?
methyl 11-[chloro(diphenyl)silyl]undecanoate has a molecular weight of 417.07 g/mol, XLogP of 5.67, 13 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for methyl 11-[chloro(diphenyl)silyl]undecanoate is sourced from PubChem (CID 101109981), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).