21-[chloro(dimethyl)silyl]henicosan-2-yl prop-2-enoate

C26H51ClO2Si — CID 168864206

IUPAC21-[chloro(dimethyl)silyl]henicosan-2-yl prop-2-enoate
SMILESC=CC(=O)OC(C)CCCCCCCCCCCCCCCCCCC[Si](C)(C)Cl
InChIInChI=1S/C26H51ClO2Si/c1-5-26(28)29-25(2)23-21-19-17-15-13-11-9-7-6-8-10-12-14-16-18-20-22-24-30(3,4)27/h5,25H,1,6-24H2,2-4H3
InChIKeyHNZRHGBAQKCLLH-UHFFFAOYSA-N
MW459.23 g/mol
LogP9.57
Rot. Bonds22

About 21-[chloro(dimethyl)silyl]henicosan-2-yl prop-2-enoate

21-[chloro(dimethyl)silyl]henicosan-2-yl prop-2-enoate (PubChem CID 168864206) has the molecular formula C26H51ClO2Si and a molecular weight of 459.23 g/mol. Its IUPAC name is 21-[chloro(dimethyl)silyl]henicosan-2-yl prop-2-enoate.

Molecular Properties

Compound Name21-[chloro(dimethyl)silyl]henicosan-2-yl prop-2-enoate
PubChem CID168864206
Molecular FormulaC26H51ClO2Si
Molecular Weight459.23 g/mol
Exact Mass458.33
IUPAC Name21-[chloro(dimethyl)silyl]henicosan-2-yl prop-2-enoate
SMILESC=CC(=O)OC(C)CCCCCCCCCCCCCCCCCCC[Si](C)(C)Cl
InChIInChI=1S/C26H51ClO2Si/c1-5-26(28)29-25(2)23-21-19-17-15-13-11-9-7-6-8-10-12-14-16-18-20-22-24-30(3,4)27/h5,25H,1,6-24H2,2-4H3
InChIKeyHNZRHGBAQKCLLH-UHFFFAOYSA-N
XLogP9.57
TPSA26.30 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds22
Heavy Atoms30
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500459.23
LogP ≤ 59.57
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': 'Michael_acceptor_1', 'substructure': 'N/A'}, {'alert_name': 'silicon_halogen', 'substructure': 'N/A'}

Analyze 21-[chloro(dimethyl)silyl]henicosan-2-yl prop-2-enoate 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

14-trichlorosilyltetradecan-2-yl prop-2-enoate
CID 168864094
20-[iodo(dimethyl)silyl]icosan-2-yl prop-2-enoate
CID 168864209
19-[iodo(dimethyl)silyl]nonadecan-2-yl prop-2-enoate
CID 168864259
15-triiodosilylpentadecan-2-yl prop-2-enoate
CID 168864274
9-trihydroxysilylnonan-2-yl prop-2-enoate
CID 176894316
6-triiodosilylhexan-2-yl prop-2-enoate
CID 168864108
4-[dichloro(methyl)silyl]butan-2-yl prop-2-enoate
CID 159860704
6-prop-2-enoyloxyheptan-2-yl prop-2-enoate
CID 58537732
4-trichlorosilylbutan-2-yl prop-2-enoate
CID 141005988
6-triethoxysilylhexan-2-yl prop-2-enoate
CID 141250716
(7-chloro-7-oxoheptan-2-yl) prop-2-enoate
CID 164897717
CID 168864103
CID 168864103

Frequently Asked Questions

What is the IUPAC name of 21-[chloro(dimethyl)silyl]henicosan-2-yl prop-2-enoate?
The IUPAC name of 21-[chloro(dimethyl)silyl]henicosan-2-yl prop-2-enoate (CID 168864206) is 21-[chloro(dimethyl)silyl]henicosan-2-yl prop-2-enoate.
What is the SMILES notation for 21-[chloro(dimethyl)silyl]henicosan-2-yl prop-2-enoate?
The canonical SMILES for 21-[chloro(dimethyl)silyl]henicosan-2-yl prop-2-enoate is C=CC(=O)OC(C)CCCCCCCCCCCCCCCCCCC[Si](C)(C)Cl.
What is the InChIKey of 21-[chloro(dimethyl)silyl]henicosan-2-yl prop-2-enoate?
The InChIKey is HNZRHGBAQKCLLH-UHFFFAOYSA-N. The full InChI is InChI=1S/C26H51ClO2Si/c1-5-26(28)29-25(2)23-21-19-17-15-13-11-9-7-6-8-10-12-14-16-18-20-22-24-30(3,4)27/h5,25H,1,6-24H2,2-4H3.
What are the key properties of 21-[chloro(dimethyl)silyl]henicosan-2-yl prop-2-enoate?
21-[chloro(dimethyl)silyl]henicosan-2-yl prop-2-enoate has a molecular weight of 459.23 g/mol, XLogP of 9.57, 22 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 21-[chloro(dimethyl)silyl]henicosan-2-yl prop-2-enoate is sourced from PubChem (CID 168864206), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).