methyl 4-[(E)-2-[3-methoxycarbonyl-2,2-di(propan-2-yl)-1-oxa-2-silaspiro[4.5]dec-3-en-4-yl]ethenyl]-2,2-di(propan-2-yl)-1-oxa-2-silaspiro[4.5]dec-3-ene-3-carboxylate

C34H56O6Si2 — CID 10603867

IUPACmethyl 4-[(E)-2-[3-methoxycarbonyl-2,2-di(propan-2-yl)-1-oxa-2-silaspiro[4.5]dec-3-en-4-yl]ethenyl]-2,2-di(propan-2-yl)-1-oxa-2-silaspiro[4.5]dec-3-ene-3-carboxylate
SMILESCOC(=O)C1=C(/C=C/C2=C(C(=O)OC)[Si](C(C)C)(C(C)C)OC23CCCCC3)C2(CCCCC2)O[Si]1(C(C)C)C(C)C
InChIInChI=1S/C34H56O6Si2/c1-23(2)41(24(3)4)29(31(35)37-9)27(33(39-41)19-13-11-14-20-33)17-18-28-30(32(36)38-10)42(25(5)6,26(7)8)40-34(28)21-15-12-16-22-34/h17-18,23-26H,11-16,19-22H2,1-10H3/b18-17+
InChIKeyDYPFRHKVTOGIGV-ISLYRVAYSA-N
MW616.99 g/mol
LogP8.56
Rot. Bonds8

About methyl 4-[(E)-2-[3-methoxycarbonyl-2,2-di(propan-2-yl)-1-oxa-2-silaspiro[4.5]dec-3-en-4-yl]ethenyl]-2,2-di(propan-2-yl)-1-oxa-2-silaspiro[4.5]dec-3-ene-3-carboxylate

methyl 4-[(E)-2-[3-methoxycarbonyl-2,2-di(propan-2-yl)-1-oxa-2-silaspiro[4.5]dec-3-en-4-yl]ethenyl]-2,2-di(propan-2-yl)-1-oxa-2-silaspiro[4.5]dec-3-ene-3-carboxylate (PubChem CID 10603867) has the molecular formula C34H56O6Si2 and a molecular weight of 616.99 g/mol. Its IUPAC name is methyl 4-[(E)-2-[3-methoxycarbonyl-2,2-di(propan-2-yl)-1-oxa-2-silaspiro[4.5]dec-3-en-4-yl]ethenyl]-2,2-di(propan-2-yl)-1-oxa-2-silaspiro[4.5]dec-3-ene-3-carboxylate.

Molecular Properties

Compound Namemethyl 4-[(E)-2-[3-methoxycarbonyl-2,2-di(propan-2-yl)-1-oxa-2-silaspiro[4.5]dec-3-en-4-yl]ethenyl]-2,2-di(propan-2-yl)-1-oxa-2-silaspiro[4.5]dec-3-ene-3-carboxylate
PubChem CID10603867
Molecular FormulaC34H56O6Si2
Molecular Weight616.99 g/mol
Exact Mass616.36
IUPAC Namemethyl 4-[(E)-2-[3-methoxycarbonyl-2,2-di(propan-2-yl)-1-oxa-2-silaspiro[4.5]dec-3-en-4-yl]ethenyl]-2,2-di(propan-2-yl)-1-oxa-2-silaspiro[4.5]dec-3-ene-3-carboxylate
SMILESCOC(=O)C1=C(/C=C/C2=C(C(=O)OC)[Si](C(C)C)(C(C)C)OC23CCCCC3)C2(CCCCC2)O[Si]1(C(C)C)C(C)C
InChIInChI=1S/C34H56O6Si2/c1-23(2)41(24(3)4)29(31(35)37-9)27(33(39-41)19-13-11-14-20-33)17-18-28-30(32(36)38-10)42(25(5)6,26(7)8)40-34(28)21-15-12-16-22-34/h17-18,23-26H,11-16,19-22H2,1-10H3/b18-17+
InChIKeyDYPFRHKVTOGIGV-ISLYRVAYSA-N
XLogP8.56
TPSA71.06 Ų
H-Bond Donors
H-Bond Acceptors6
Rotatable Bonds8
Heavy Atoms42
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500616.99
LogP ≤ 58.56
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 106

Computed Properties (RDKit)

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

Analyze methyl 4-[(E)-2-[3-methoxycarbonyl-2,2-di(propan-2-yl)-1-oxa-2-silaspiro[4.5]dec-3-en-4-yl]ethenyl]-2,2-di(propan-2-yl)-1-oxa-2-silaspiro[4.5]dec-3-ene-3-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 methyl 4-[(E)-2-[3-methoxycarbonyl-2,2-di(propan-2-yl)-1-oxa-2-silaspiro[4.5]dec-3-en-4-yl]ethenyl]-2,2-di(propan-2-yl)-1-oxa-2-silaspiro[4.5]dec-3-ene-3-carboxylate?
The IUPAC name of methyl 4-[(E)-2-[3-methoxycarbonyl-2,2-di(propan-2-yl)-1-oxa-2-silaspiro[4.5]dec-3-en-4-yl]ethenyl]-2,2-di(propan-2-yl)-1-oxa-2-silaspiro[4.5]dec-3-ene-3-carboxylate (CID 10603867) is methyl 4-[(E)-2-[3-methoxycarbonyl-2,2-di(propan-2-yl)-1-oxa-2-silaspiro[4.5]dec-3-en-4-yl]ethenyl]-2,2-di(propan-2-yl)-1-oxa-2-silaspiro[4.5]dec-3-ene-3-carboxylate.
What is the SMILES notation for methyl 4-[(E)-2-[3-methoxycarbonyl-2,2-di(propan-2-yl)-1-oxa-2-silaspiro[4.5]dec-3-en-4-yl]ethenyl]-2,2-di(propan-2-yl)-1-oxa-2-silaspiro[4.5]dec-3-ene-3-carboxylate?
The canonical SMILES for methyl 4-[(E)-2-[3-methoxycarbonyl-2,2-di(propan-2-yl)-1-oxa-2-silaspiro[4.5]dec-3-en-4-yl]ethenyl]-2,2-di(propan-2-yl)-1-oxa-2-silaspiro[4.5]dec-3-ene-3-carboxylate is COC(=O)C1=C(/C=C/C2=C(C(=O)OC)[Si](C(C)C)(C(C)C)OC23CCCCC3)C2(CCCCC2)O[Si]1(C(C)C)C(C)C.
What is the InChIKey of methyl 4-[(E)-2-[3-methoxycarbonyl-2,2-di(propan-2-yl)-1-oxa-2-silaspiro[4.5]dec-3-en-4-yl]ethenyl]-2,2-di(propan-2-yl)-1-oxa-2-silaspiro[4.5]dec-3-ene-3-carboxylate?
The InChIKey is DYPFRHKVTOGIGV-ISLYRVAYSA-N. The full InChI is InChI=1S/C34H56O6Si2/c1-23(2)41(24(3)4)29(31(35)37-9)27(33(39-41)19-13-11-14-20-33)17-18-28-30(32(36)38-10)42(25(5)6,26(7)8)40-34(28)21-15-12-16-22-34/h17-18,23-26H,11-16,19-22H2,1-10H3/b18-17+.
What are the key properties of methyl 4-[(E)-2-[3-methoxycarbonyl-2,2-di(propan-2-yl)-1-oxa-2-silaspiro[4.5]dec-3-en-4-yl]ethenyl]-2,2-di(propan-2-yl)-1-oxa-2-silaspiro[4.5]dec-3-ene-3-carboxylate?
methyl 4-[(E)-2-[3-methoxycarbonyl-2,2-di(propan-2-yl)-1-oxa-2-silaspiro[4.5]dec-3-en-4-yl]ethenyl]-2,2-di(propan-2-yl)-1-oxa-2-silaspiro[4.5]dec-3-ene-3-carboxylate has a molecular weight of 616.99 g/mol, XLogP of 8.56, 8 rotatable bonds, 0 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for methyl 4-[(E)-2-[3-methoxycarbonyl-2,2-di(propan-2-yl)-1-oxa-2-silaspiro[4.5]dec-3-en-4-yl]ethenyl]-2,2-di(propan-2-yl)-1-oxa-2-silaspiro[4.5]dec-3-ene-3-carboxylate is sourced from PubChem (CID 10603867), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).