ethyl (E)-3-[(2R,5S,6S,9R)-2-tert-butyl-8-[[tert-butyl(diphenyl)silyl]oxymethyl]-9-methyl-4-oxo-1,3-dioxaspiro[4.5]dec-7-en-6-yl]-2-methylprop-2-enoate

C36H48O6Si — CID 11753738

IUPACethyl (E)-3-[(2R,5S,6S,9R)-2-tert-butyl-8-[[tert-butyl(diphenyl)silyl]oxymethyl]-9-methyl-4-oxo-1,3-dioxaspiro[4.5]dec-7-en-6-yl]-2-methylprop-2-enoate
SMILESCCOC(=O)/C(C)=C/[C@@H]1C=C(CO[Si](c2ccccc2)(c2ccccc2)C(C)(C)C)[C@H](C)C[C@]12O[C@@H](C(C)(C)C)OC2=O
InChIInChI=1S/C36H48O6Si/c1-10-39-31(37)25(2)21-28-22-27(26(3)23-36(28)32(38)41-33(42-36)34(4,5)6)24-40-43(35(7,8)9,29-17-13-11-14-18-29)30-19-15-12-16-20-30/h11-22,26,28,33H,10,23-24H2,1-9H3/b25-21+/t26-,28-,33+,36+/m1/s1
InChIKeyKOVQEPDTCRCVAJ-UOJXTBNSSA-N
MW604.86 g/mol
LogP6.34
Rot. Bonds8

About ethyl (E)-3-[(2R,5S,6S,9R)-2-tert-butyl-8-[[tert-butyl(diphenyl)silyl]oxymethyl]-9-methyl-4-oxo-1,3-dioxaspiro[4.5]dec-7-en-6-yl]-2-methylprop-2-enoate

ethyl (E)-3-[(2R,5S,6S,9R)-2-tert-butyl-8-[[tert-butyl(diphenyl)silyl]oxymethyl]-9-methyl-4-oxo-1,3-dioxaspiro[4.5]dec-7-en-6-yl]-2-methylprop-2-enoate (PubChem CID 11753738) has the molecular formula C36H48O6Si and a molecular weight of 604.86 g/mol. Its IUPAC name is ethyl (E)-3-[(2R,5S,6S,9R)-2-tert-butyl-8-[[tert-butyl(diphenyl)silyl]oxymethyl]-9-methyl-4-oxo-1,3-dioxaspiro[4.5]dec-7-en-6-yl]-2-methylprop-2-enoate.

Molecular Properties

Compound Nameethyl (E)-3-[(2R,5S,6S,9R)-2-tert-butyl-8-[[tert-butyl(diphenyl)silyl]oxymethyl]-9-methyl-4-oxo-1,3-dioxaspiro[4.5]dec-7-en-6-yl]-2-methylprop-2-enoate
PubChem CID11753738
Molecular FormulaC36H48O6Si
Molecular Weight604.86 g/mol
Exact Mass604.32
IUPAC Nameethyl (E)-3-[(2R,5S,6S,9R)-2-tert-butyl-8-[[tert-butyl(diphenyl)silyl]oxymethyl]-9-methyl-4-oxo-1,3-dioxaspiro[4.5]dec-7-en-6-yl]-2-methylprop-2-enoate
SMILESCCOC(=O)/C(C)=C/[C@@H]1C=C(CO[Si](c2ccccc2)(c2ccccc2)C(C)(C)C)[C@H](C)C[C@]12O[C@@H](C(C)(C)C)OC2=O
InChIInChI=1S/C36H48O6Si/c1-10-39-31(37)25(2)21-28-22-27(26(3)23-36(28)32(38)41-33(42-36)34(4,5)6)24-40-43(35(7,8)9,29-17-13-11-14-18-29)30-19-15-12-16-20-30/h11-22,26,28,33H,10,23-24H2,1-9H3/b25-21+/t26-,28-,33+,36+/m1/s1
InChIKeyKOVQEPDTCRCVAJ-UOJXTBNSSA-N
XLogP6.34
TPSA71.06 Ų
H-Bond Donors
H-Bond Acceptors6
Rotatable Bonds8
Heavy Atoms43
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500604.86
LogP ≤ 56.34
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 106

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'heavy_metal', 'substructure': 'N/A'}, {'alert_name': 'isolated_alkene', 'substructure': 'N/A'}, {'alert_name': 'Michael_acceptor_1', 'substructure': 'N/A'}

Analyze ethyl (E)-3-[(2R,5S,6S,9R)-2-tert-butyl-8-[[tert-butyl(diphenyl)silyl]oxymethyl]-9-methyl-4-oxo-1,3-dioxaspiro[4.5]dec-7-en-6-yl]-2-methylprop-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

Frequently Asked Questions

What is the IUPAC name of ethyl (E)-3-[(2R,5S,6S,9R)-2-tert-butyl-8-[[tert-butyl(diphenyl)silyl]oxymethyl]-9-methyl-4-oxo-1,3-dioxaspiro[4.5]dec-7-en-6-yl]-2-methylprop-2-enoate?
The IUPAC name of ethyl (E)-3-[(2R,5S,6S,9R)-2-tert-butyl-8-[[tert-butyl(diphenyl)silyl]oxymethyl]-9-methyl-4-oxo-1,3-dioxaspiro[4.5]dec-7-en-6-yl]-2-methylprop-2-enoate (CID 11753738) is ethyl (E)-3-[(2R,5S,6S,9R)-2-tert-butyl-8-[[tert-butyl(diphenyl)silyl]oxymethyl]-9-methyl-4-oxo-1,3-dioxaspiro[4.5]dec-7-en-6-yl]-2-methylprop-2-enoate.
What is the SMILES notation for ethyl (E)-3-[(2R,5S,6S,9R)-2-tert-butyl-8-[[tert-butyl(diphenyl)silyl]oxymethyl]-9-methyl-4-oxo-1,3-dioxaspiro[4.5]dec-7-en-6-yl]-2-methylprop-2-enoate?
The canonical SMILES for ethyl (E)-3-[(2R,5S,6S,9R)-2-tert-butyl-8-[[tert-butyl(diphenyl)silyl]oxymethyl]-9-methyl-4-oxo-1,3-dioxaspiro[4.5]dec-7-en-6-yl]-2-methylprop-2-enoate is CCOC(=O)/C(C)=C/[C@@H]1C=C(CO[Si](c2ccccc2)(c2ccccc2)C(C)(C)C)[C@H](C)C[C@]12O[C@@H](C(C)(C)C)OC2=O.
What is the InChIKey of ethyl (E)-3-[(2R,5S,6S,9R)-2-tert-butyl-8-[[tert-butyl(diphenyl)silyl]oxymethyl]-9-methyl-4-oxo-1,3-dioxaspiro[4.5]dec-7-en-6-yl]-2-methylprop-2-enoate?
The InChIKey is KOVQEPDTCRCVAJ-UOJXTBNSSA-N. The full InChI is InChI=1S/C36H48O6Si/c1-10-39-31(37)25(2)21-28-22-27(26(3)23-36(28)32(38)41-33(42-36)34(4,5)6)24-40-43(35(7,8)9,29-17-13-11-14-18-29)30-19-15-12-16-20-30/h11-22,26,28,33H,10,23-24H2,1-9H3/b25-21+/t26-,28-,33+,36+/m1/s1.
What are the key properties of ethyl (E)-3-[(2R,5S,6S,9R)-2-tert-butyl-8-[[tert-butyl(diphenyl)silyl]oxymethyl]-9-methyl-4-oxo-1,3-dioxaspiro[4.5]dec-7-en-6-yl]-2-methylprop-2-enoate?
ethyl (E)-3-[(2R,5S,6S,9R)-2-tert-butyl-8-[[tert-butyl(diphenyl)silyl]oxymethyl]-9-methyl-4-oxo-1,3-dioxaspiro[4.5]dec-7-en-6-yl]-2-methylprop-2-enoate has a molecular weight of 604.86 g/mol, XLogP of 6.34, 8 rotatable bonds, 0 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for ethyl (E)-3-[(2R,5S,6S,9R)-2-tert-butyl-8-[[tert-butyl(diphenyl)silyl]oxymethyl]-9-methyl-4-oxo-1,3-dioxaspiro[4.5]dec-7-en-6-yl]-2-methylprop-2-enoate is sourced from PubChem (CID 11753738), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).