methyl 3-[tert-butyl(dimethyl)silyl]oxy-4-[5-[4-[5-(1-ethoxypropyl)-2,2,5-trimethyl-1,3-dioxolan-4-yl]-2-methyl-3-oxopent-1-enyl]-2,2,5-trimethyl-1,3-dioxolan-4-yl]-2-methylpentanoate

C36H66O9Si — CID 163066834

IUPACmethyl 3-[tert-butyl(dimethyl)silyl]oxy-4-[5-[4-[5-(1-ethoxypropyl)-2,2,5-trimethyl-1,3-dioxolan-4-yl]-2-methyl-3-oxopent-1-enyl]-2,2,5-trimethyl-1,3-dioxolan-4-yl]-2-methylpentanoate
SMILESCCOC(CC)C1(C)OC(C)(C)OC1C(C)C(=O)C(C)=CC1(C)OC(C)(C)OC1C(C)C(O[Si](C)(C)C(C)(C)C)C(C)C(=O)OC
InChIInChI=1S/C36H66O9Si/c1-19-26(40-20-2)36(15)30(42-34(12,13)45-36)23(4)27(37)22(3)21-35(14)29(41-33(10,11)44-35)24(5)28(25(6)31(38)39-16)43-46(17,18)32(7,8)9/h21,23-26,28-30H,19-20H2,1-18H3
InChIKeyZSXOESDFZFOLOC-UHFFFAOYSA-N
MW671.00 g/mol
LogP7.61
Rot. Bonds14

About methyl 3-[tert-butyl(dimethyl)silyl]oxy-4-[5-[4-[5-(1-ethoxypropyl)-2,2,5-trimethyl-1,3-dioxolan-4-yl]-2-methyl-3-oxopent-1-enyl]-2,2,5-trimethyl-1,3-dioxolan-4-yl]-2-methylpentanoate

methyl 3-[tert-butyl(dimethyl)silyl]oxy-4-[5-[4-[5-(1-ethoxypropyl)-2,2,5-trimethyl-1,3-dioxolan-4-yl]-2-methyl-3-oxopent-1-enyl]-2,2,5-trimethyl-1,3-dioxolan-4-yl]-2-methylpentanoate (PubChem CID 163066834) has the molecular formula C36H66O9Si and a molecular weight of 671.00 g/mol. Its IUPAC name is methyl 3-[tert-butyl(dimethyl)silyl]oxy-4-[5-[4-[5-(1-ethoxypropyl)-2,2,5-trimethyl-1,3-dioxolan-4-yl]-2-methyl-3-oxopent-1-enyl]-2,2,5-trimethyl-1,3-dioxolan-4-yl]-2-methylpentanoate.

Molecular Properties

Compound Namemethyl 3-[tert-butyl(dimethyl)silyl]oxy-4-[5-[4-[5-(1-ethoxypropyl)-2,2,5-trimethyl-1,3-dioxolan-4-yl]-2-methyl-3-oxopent-1-enyl]-2,2,5-trimethyl-1,3-dioxolan-4-yl]-2-methylpentanoate
PubChem CID163066834
Molecular FormulaC36H66O9Si
Molecular Weight671.00 g/mol
Exact Mass670.45
IUPAC Namemethyl 3-[tert-butyl(dimethyl)silyl]oxy-4-[5-[4-[5-(1-ethoxypropyl)-2,2,5-trimethyl-1,3-dioxolan-4-yl]-2-methyl-3-oxopent-1-enyl]-2,2,5-trimethyl-1,3-dioxolan-4-yl]-2-methylpentanoate
SMILESCCOC(CC)C1(C)OC(C)(C)OC1C(C)C(=O)C(C)=CC1(C)OC(C)(C)OC1C(C)C(O[Si](C)(C)C(C)(C)C)C(C)C(=O)OC
InChIInChI=1S/C36H66O9Si/c1-19-26(40-20-2)36(15)30(42-34(12,13)45-36)23(4)27(37)22(3)21-35(14)29(41-33(10,11)44-35)24(5)28(25(6)31(38)39-16)43-46(17,18)32(7,8)9/h21,23-26,28-30H,19-20H2,1-18H3
InChIKeyZSXOESDFZFOLOC-UHFFFAOYSA-N
XLogP7.61
TPSA98.75 Ų
H-Bond Donors
H-Bond Acceptors9
Rotatable Bonds14
Heavy Atoms46
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500671.00
LogP ≤ 57.61
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 109

Computed Properties (RDKit)

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

Analyze methyl 3-[tert-butyl(dimethyl)silyl]oxy-4-[5-[4-[5-(1-ethoxypropyl)-2,2,5-trimethyl-1,3-dioxolan-4-yl]-2-methyl-3-oxopent-1-enyl]-2,2,5-trimethyl-1,3-dioxolan-4-yl]-2-methylpentanoate 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 3-[tert-butyl(dimethyl)silyl]oxy-4-[5-[4-[5-(1-ethoxypropyl)-2,2,5-trimethyl-1,3-dioxolan-4-yl]-2-methyl-3-oxopent-1-enyl]-2,2,5-trimethyl-1,3-dioxolan-4-yl]-2-methylpentanoate?
The IUPAC name of methyl 3-[tert-butyl(dimethyl)silyl]oxy-4-[5-[4-[5-(1-ethoxypropyl)-2,2,5-trimethyl-1,3-dioxolan-4-yl]-2-methyl-3-oxopent-1-enyl]-2,2,5-trimethyl-1,3-dioxolan-4-yl]-2-methylpentanoate (CID 163066834) is methyl 3-[tert-butyl(dimethyl)silyl]oxy-4-[5-[4-[5-(1-ethoxypropyl)-2,2,5-trimethyl-1,3-dioxolan-4-yl]-2-methyl-3-oxopent-1-enyl]-2,2,5-trimethyl-1,3-dioxolan-4-yl]-2-methylpentanoate.
What is the SMILES notation for methyl 3-[tert-butyl(dimethyl)silyl]oxy-4-[5-[4-[5-(1-ethoxypropyl)-2,2,5-trimethyl-1,3-dioxolan-4-yl]-2-methyl-3-oxopent-1-enyl]-2,2,5-trimethyl-1,3-dioxolan-4-yl]-2-methylpentanoate?
The canonical SMILES for methyl 3-[tert-butyl(dimethyl)silyl]oxy-4-[5-[4-[5-(1-ethoxypropyl)-2,2,5-trimethyl-1,3-dioxolan-4-yl]-2-methyl-3-oxopent-1-enyl]-2,2,5-trimethyl-1,3-dioxolan-4-yl]-2-methylpentanoate is CCOC(CC)C1(C)OC(C)(C)OC1C(C)C(=O)C(C)=CC1(C)OC(C)(C)OC1C(C)C(O[Si](C)(C)C(C)(C)C)C(C)C(=O)OC.
What is the InChIKey of methyl 3-[tert-butyl(dimethyl)silyl]oxy-4-[5-[4-[5-(1-ethoxypropyl)-2,2,5-trimethyl-1,3-dioxolan-4-yl]-2-methyl-3-oxopent-1-enyl]-2,2,5-trimethyl-1,3-dioxolan-4-yl]-2-methylpentanoate?
The InChIKey is ZSXOESDFZFOLOC-UHFFFAOYSA-N. The full InChI is InChI=1S/C36H66O9Si/c1-19-26(40-20-2)36(15)30(42-34(12,13)45-36)23(4)27(37)22(3)21-35(14)29(41-33(10,11)44-35)24(5)28(25(6)31(38)39-16)43-46(17,18)32(7,8)9/h21,23-26,28-30H,19-20H2,1-18H3.
What are the key properties of methyl 3-[tert-butyl(dimethyl)silyl]oxy-4-[5-[4-[5-(1-ethoxypropyl)-2,2,5-trimethyl-1,3-dioxolan-4-yl]-2-methyl-3-oxopent-1-enyl]-2,2,5-trimethyl-1,3-dioxolan-4-yl]-2-methylpentanoate?
methyl 3-[tert-butyl(dimethyl)silyl]oxy-4-[5-[4-[5-(1-ethoxypropyl)-2,2,5-trimethyl-1,3-dioxolan-4-yl]-2-methyl-3-oxopent-1-enyl]-2,2,5-trimethyl-1,3-dioxolan-4-yl]-2-methylpentanoate has a molecular weight of 671.00 g/mol, XLogP of 7.61, 14 rotatable bonds, 0 hydrogen bond donors, and 9 hydrogen bond acceptors.
Where does this data come from?
All data for methyl 3-[tert-butyl(dimethyl)silyl]oxy-4-[5-[4-[5-(1-ethoxypropyl)-2,2,5-trimethyl-1,3-dioxolan-4-yl]-2-methyl-3-oxopent-1-enyl]-2,2,5-trimethyl-1,3-dioxolan-4-yl]-2-methylpentanoate is sourced from PubChem (CID 163066834), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).