11-[chloro(dimethyl)silyl]undecyl 2,2-dimethylpropanoate

C18H37ClO2Si — CID 101408302

IUPAC11-[chloro(dimethyl)silyl]undecyl 2,2-dimethylpropanoate
SMILESCC(C)(C)C(=O)OCCCCCCCCCCC[Si](C)(C)Cl
InChIInChI=1S/C18H37ClO2Si/c1-18(2,3)17(20)21-15-13-11-9-7-6-8-10-12-14-16-22(4,5)19/h6-16H2,1-5H3
InChIKeyQQDTVESQPJMCMO-UHFFFAOYSA-N
MW349.03 g/mol
LogP6.53
Rot. Bonds12

About 11-[chloro(dimethyl)silyl]undecyl 2,2-dimethylpropanoate

11-[chloro(dimethyl)silyl]undecyl 2,2-dimethylpropanoate (PubChem CID 101408302) has the molecular formula C18H37ClO2Si and a molecular weight of 349.03 g/mol. Its IUPAC name is 11-[chloro(dimethyl)silyl]undecyl 2,2-dimethylpropanoate.

Molecular Properties

Compound Name11-[chloro(dimethyl)silyl]undecyl 2,2-dimethylpropanoate
PubChem CID101408302
Molecular FormulaC18H37ClO2Si
Molecular Weight349.03 g/mol
Exact Mass348.23
IUPAC Name11-[chloro(dimethyl)silyl]undecyl 2,2-dimethylpropanoate
SMILESCC(C)(C)C(=O)OCCCCCCCCCCC[Si](C)(C)Cl
InChIInChI=1S/C18H37ClO2Si/c1-18(2,3)17(20)21-15-13-11-9-7-6-8-10-12-14-16-22(4,5)19/h6-16H2,1-5H3
InChIKeyQQDTVESQPJMCMO-UHFFFAOYSA-N
XLogP6.53
TPSA26.30 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds12
Heavy Atoms22
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500349.03
LogP ≤ 56.53
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'}

Analyze 11-[chloro(dimethyl)silyl]undecyl 2,2-dimethylpropanoate with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

heptadecyl 2,2-dimethylpropanoate
CID 568514
4-[chloro(dimethyl)silyl]butyl 2-bromopropanoate
CID 150415152
undecyl 2,2-dimethylpropanoate;hydrochloride
CID 174740380
5-[chloro(dimethyl)silyl]pentyl but-2-enoate
CID 174106073
5-methylhexyl 2,2-dimethylpropanoate
CID 88620729
zinc bis(pentyl 2,2-dimethylpropanoate)
CID 10971564
3-[4,4-dimethylpentan-2-yloxy(dimethyl)silyl]propyl 2,2-dimethylpropanoate
CID 58275988
(7-cyano-7-trimethylsilylheptyl) 2,2-dimethylpropanoate
CID 10913523
5-methylheptyl 2,2-dimethylpropanoate
CID 174762068
6-trichlorosilylhexyl 2-bromopropanoate
CID 59215465
[5-(2,2-dimethylpropanoyloxy)-4-methylpentyl] 2,2-dimethylpropanoate
CID 151303076
6-trimethoxysilylhexyl 2-iodo-2-methylpropanoate
CID 58280983

Frequently Asked Questions

What is the IUPAC name of 11-[chloro(dimethyl)silyl]undecyl 2,2-dimethylpropanoate?
The IUPAC name of 11-[chloro(dimethyl)silyl]undecyl 2,2-dimethylpropanoate (CID 101408302) is 11-[chloro(dimethyl)silyl]undecyl 2,2-dimethylpropanoate.
What is the SMILES notation for 11-[chloro(dimethyl)silyl]undecyl 2,2-dimethylpropanoate?
The canonical SMILES for 11-[chloro(dimethyl)silyl]undecyl 2,2-dimethylpropanoate is CC(C)(C)C(=O)OCCCCCCCCCCC[Si](C)(C)Cl.
What is the InChIKey of 11-[chloro(dimethyl)silyl]undecyl 2,2-dimethylpropanoate?
The InChIKey is QQDTVESQPJMCMO-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H37ClO2Si/c1-18(2,3)17(20)21-15-13-11-9-7-6-8-10-12-14-16-22(4,5)19/h6-16H2,1-5H3.
What are the key properties of 11-[chloro(dimethyl)silyl]undecyl 2,2-dimethylpropanoate?
11-[chloro(dimethyl)silyl]undecyl 2,2-dimethylpropanoate has a molecular weight of 349.03 g/mol, XLogP of 6.53, 12 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 11-[chloro(dimethyl)silyl]undecyl 2,2-dimethylpropanoate is sourced from PubChem (CID 101408302), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).