4-[tert-butyl(dimethyl)silyl]peroxytridec-1-en-6-yl 2,2-dimethylpropanoate

C24H48O4Si — CID 102465937

IUPAC4-[tert-butyl(dimethyl)silyl]peroxytridec-1-en-6-yl 2,2-dimethylpropanoate
SMILESC=CCC(CC(CCCCCCC)OC(=O)C(C)(C)C)OO[Si](C)(C)C(C)(C)C
InChIInChI=1S/C24H48O4Si/c1-11-13-14-15-16-18-20(26-22(25)23(3,4)5)19-21(17-12-2)27-28-29(9,10)24(6,7)8/h12,20-21H,2,11,13-19H2,1,3-10H3
InChIKeyAQHWRTRQLFVPLQ-UHFFFAOYSA-N
MW428.73 g/mol
LogP7.59
Rot. Bonds14

About 4-[tert-butyl(dimethyl)silyl]peroxytridec-1-en-6-yl 2,2-dimethylpropanoate

4-[tert-butyl(dimethyl)silyl]peroxytridec-1-en-6-yl 2,2-dimethylpropanoate (PubChem CID 102465937) has the molecular formula C24H48O4Si and a molecular weight of 428.73 g/mol. Its IUPAC name is 4-[tert-butyl(dimethyl)silyl]peroxytridec-1-en-6-yl 2,2-dimethylpropanoate.

Molecular Properties

Compound Name4-[tert-butyl(dimethyl)silyl]peroxytridec-1-en-6-yl 2,2-dimethylpropanoate
PubChem CID102465937
Molecular FormulaC24H48O4Si
Molecular Weight428.73 g/mol
Exact Mass428.33
IUPAC Name4-[tert-butyl(dimethyl)silyl]peroxytridec-1-en-6-yl 2,2-dimethylpropanoate
SMILESC=CCC(CC(CCCCCCC)OC(=O)C(C)(C)C)OO[Si](C)(C)C(C)(C)C
InChIInChI=1S/C24H48O4Si/c1-11-13-14-15-16-18-20(26-22(25)23(3,4)5)19-21(17-12-2)27-28-29(9,10)24(6,7)8/h12,20-21H,2,11,13-19H2,1,3-10H3
InChIKeyAQHWRTRQLFVPLQ-UHFFFAOYSA-N
XLogP7.59
TPSA44.76 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds14
Heavy Atoms29
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500428.73
LogP ≤ 57.59
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}, {'alert_name': 'heavy_metal', 'substructure': 'N/A'}, {'alert_name': 'isolated_alkene', 'substructure': 'N/A'}, {'alert_name': 'Oxygen-nitrogen_single_bond', 'substructure': 'N/A'}, {'alert_name': 'peroxide', 'substructure': 'N/A'}

Analyze 4-[tert-butyl(dimethyl)silyl]peroxytridec-1-en-6-yl 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

[(3R,4S,5R)-5-[tert-butyl(dimethyl)silyl]oxy-3-methoxy-4-methyloct-7-enyl] 2,2-dimethylpropanoate
CID 10667904
Ethyl (3R,6S)-6-(triisopropylsiloxy)-3,4-tridecadienoate
CID 11825755
[(3R)-8-[tert-butyl(dimethyl)silyl]oxyoct-1-en-3-yl] 2,2-dimethylpropanoate
CID 135079804
3-[(2S,4S,5S)-4-[tert-butyl(dimethyl)silyl]oxy-5-pent-4-enyloxolan-2-yl]propyl 2,2-dimethylpropanoate
CID 178184688
(5E,8R,14R)-8-[tert-butyl(dimethyl)silyl]oxy-14-pentyl-1-oxacyclotetradec-5-en-2-one
CID 10862501
3-[(2S,3R,4R,5R)-3,4-bis[[tert-butyl(dimethyl)silyl]oxy]-5-prop-2-enyloxolan-2-yl]propyl 2,2-dimethylpropanoate
CID 11049545
ethyl (E)-12-[tert-butyl(dimethyl)silyl]oxyoctadec-4-enoate
CID 10071970
ethyl (Z)-12-[tert-butyl(dimethyl)silyl]oxyoctadec-4-enoate
CID 10478458
7-[Tert-butyl(dimethyl)silyl]oxyheptyl but-3-enoate
CID 139889078
[(4R)-4-[tert-butyl(dimethyl)silyl]oxy-6-methylocta-6,7-dienyl] 2,2-dimethylpropanoate
CID 140738641
[(Z,7R)-18-[tert-butyl(dimethyl)silyl]oxyoctadec-9-en-7-yl] acetate
CID 162517816
18-[Tert-butyl(dimethyl)silyl]oxyoctadec-9-en-7-yl acetate
CID 171571898

Frequently Asked Questions

What is the IUPAC name of 4-[tert-butyl(dimethyl)silyl]peroxytridec-1-en-6-yl 2,2-dimethylpropanoate?
The IUPAC name of 4-[tert-butyl(dimethyl)silyl]peroxytridec-1-en-6-yl 2,2-dimethylpropanoate (CID 102465937) is 4-[tert-butyl(dimethyl)silyl]peroxytridec-1-en-6-yl 2,2-dimethylpropanoate.
What is the SMILES notation for 4-[tert-butyl(dimethyl)silyl]peroxytridec-1-en-6-yl 2,2-dimethylpropanoate?
The canonical SMILES for 4-[tert-butyl(dimethyl)silyl]peroxytridec-1-en-6-yl 2,2-dimethylpropanoate is C=CCC(CC(CCCCCCC)OC(=O)C(C)(C)C)OO[Si](C)(C)C(C)(C)C.
What is the InChIKey of 4-[tert-butyl(dimethyl)silyl]peroxytridec-1-en-6-yl 2,2-dimethylpropanoate?
The InChIKey is AQHWRTRQLFVPLQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C24H48O4Si/c1-11-13-14-15-16-18-20(26-22(25)23(3,4)5)19-21(17-12-2)27-28-29(9,10)24(6,7)8/h12,20-21H,2,11,13-19H2,1,3-10H3.
What are the key properties of 4-[tert-butyl(dimethyl)silyl]peroxytridec-1-en-6-yl 2,2-dimethylpropanoate?
4-[tert-butyl(dimethyl)silyl]peroxytridec-1-en-6-yl 2,2-dimethylpropanoate has a molecular weight of 428.73 g/mol, XLogP of 7.59, 14 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 4-[tert-butyl(dimethyl)silyl]peroxytridec-1-en-6-yl 2,2-dimethylpropanoate is sourced from PubChem (CID 102465937), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).