6-[3-[[[butyl(dimethyl)silyl]oxy-dimethylsilyl]oxy-dimethylsilyl]oxypropoxycarbonyl]cyclohex-3-ene-1-carboxylate

C21H41O7Si3- — CID 58113131

IUPAC6-[3-[[[butyl(dimethyl)silyl]oxy-dimethylsilyl]oxy-dimethylsilyl]oxypropoxycarbonyl]cyclohex-3-ene-1-carboxylate
SMILESCCCC[Si](C)(C)O[Si](C)(C)O[Si](C)(C)OCCCOC(=O)C1CC=CCC1C(=O)[O-]
InChIInChI=1S/C21H42O7Si3/c1-8-9-17-29(2,3)27-31(6,7)28-30(4,5)26-16-12-15-25-21(24)19-14-11-10-13-18(19)20(22)23/h10-11,18-19H,8-9,12-17H2,1-7H3,(H,22,23)/p-1
InChIKeyROLJSBHHOWDJBQ-UHFFFAOYSA-M
MW489.81 g/mol
LogP3.71
Rot. Bonds14

About 6-[3-[[[butyl(dimethyl)silyl]oxy-dimethylsilyl]oxy-dimethylsilyl]oxypropoxycarbonyl]cyclohex-3-ene-1-carboxylate

6-[3-[[[butyl(dimethyl)silyl]oxy-dimethylsilyl]oxy-dimethylsilyl]oxypropoxycarbonyl]cyclohex-3-ene-1-carboxylate (PubChem CID 58113131) has the molecular formula C21H41O7Si3- and a molecular weight of 489.81 g/mol. Its IUPAC name is 6-[3-[[[butyl(dimethyl)silyl]oxy-dimethylsilyl]oxy-dimethylsilyl]oxypropoxycarbonyl]cyclohex-3-ene-1-carboxylate.

Molecular Properties

Compound Name6-[3-[[[butyl(dimethyl)silyl]oxy-dimethylsilyl]oxy-dimethylsilyl]oxypropoxycarbonyl]cyclohex-3-ene-1-carboxylate
PubChem CID58113131
Molecular FormulaC21H41O7Si3-
Molecular Weight489.81 g/mol
Exact Mass489.22
IUPAC Name6-[3-[[[butyl(dimethyl)silyl]oxy-dimethylsilyl]oxy-dimethylsilyl]oxypropoxycarbonyl]cyclohex-3-ene-1-carboxylate
SMILESCCCC[Si](C)(C)O[Si](C)(C)O[Si](C)(C)OCCCOC(=O)C1CC=CCC1C(=O)[O-]
InChIInChI=1S/C21H42O7Si3/c1-8-9-17-29(2,3)27-31(6,7)28-30(4,5)26-16-12-15-25-21(24)19-14-11-10-13-18(19)20(22)23/h10-11,18-19H,8-9,12-17H2,1-7H3,(H,22,23)/p-1
InChIKeyROLJSBHHOWDJBQ-UHFFFAOYSA-M
XLogP3.71
TPSA94.12 Ų
H-Bond Donors
H-Bond Acceptors7
Rotatable Bonds14
Heavy Atoms31
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500489.81
LogP ≤ 53.71
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 107

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'}

Analyze 6-[3-[[[butyl(dimethyl)silyl]oxy-dimethylsilyl]oxy-dimethylsilyl]oxypropoxycarbonyl]cyclohex-3-ene-1-carboxylate with MolForge

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

Launch Full Analysis

Frequently Asked Questions

What is the IUPAC name of 6-[3-[[[butyl(dimethyl)silyl]oxy-dimethylsilyl]oxy-dimethylsilyl]oxypropoxycarbonyl]cyclohex-3-ene-1-carboxylate?
The IUPAC name of 6-[3-[[[butyl(dimethyl)silyl]oxy-dimethylsilyl]oxy-dimethylsilyl]oxypropoxycarbonyl]cyclohex-3-ene-1-carboxylate (CID 58113131) is 6-[3-[[[butyl(dimethyl)silyl]oxy-dimethylsilyl]oxy-dimethylsilyl]oxypropoxycarbonyl]cyclohex-3-ene-1-carboxylate.
What is the SMILES notation for 6-[3-[[[butyl(dimethyl)silyl]oxy-dimethylsilyl]oxy-dimethylsilyl]oxypropoxycarbonyl]cyclohex-3-ene-1-carboxylate?
The canonical SMILES for 6-[3-[[[butyl(dimethyl)silyl]oxy-dimethylsilyl]oxy-dimethylsilyl]oxypropoxycarbonyl]cyclohex-3-ene-1-carboxylate is CCCC[Si](C)(C)O[Si](C)(C)O[Si](C)(C)OCCCOC(=O)C1CC=CCC1C(=O)[O-].
What is the InChIKey of 6-[3-[[[butyl(dimethyl)silyl]oxy-dimethylsilyl]oxy-dimethylsilyl]oxypropoxycarbonyl]cyclohex-3-ene-1-carboxylate?
The InChIKey is ROLJSBHHOWDJBQ-UHFFFAOYSA-M. The full InChI is InChI=1S/C21H42O7Si3/c1-8-9-17-29(2,3)27-31(6,7)28-30(4,5)26-16-12-15-25-21(24)19-14-11-10-13-18(19)20(22)23/h10-11,18-19H,8-9,12-17H2,1-7H3,(H,22,23)/p-1.
What are the key properties of 6-[3-[[[butyl(dimethyl)silyl]oxy-dimethylsilyl]oxy-dimethylsilyl]oxypropoxycarbonyl]cyclohex-3-ene-1-carboxylate?
6-[3-[[[butyl(dimethyl)silyl]oxy-dimethylsilyl]oxy-dimethylsilyl]oxypropoxycarbonyl]cyclohex-3-ene-1-carboxylate has a molecular weight of 489.81 g/mol, XLogP of 3.71, 14 rotatable bonds, 0 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for 6-[3-[[[butyl(dimethyl)silyl]oxy-dimethylsilyl]oxy-dimethylsilyl]oxypropoxycarbonyl]cyclohex-3-ene-1-carboxylate is sourced from PubChem (CID 58113131), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).