methyl (E)-5-[2-(4-methoxy-4-oxobutyl)-3,5-bis(trimethylsilyloxy)cyclopentyl]pent-3-enoate

C22H42O6Si2 — CID 5378059

IUPACmethyl (E)-5-[2-(4-methoxy-4-oxobutyl)-3,5-bis(trimethylsilyloxy)cyclopentyl]pent-3-enoate
SMILESCOC(=O)C/C=C/CC1C(O[Si](C)(C)C)CC(O[Si](C)(C)C)C1CCCC(=O)OC
InChIInChI=1S/C22H42O6Si2/c1-25-21(23)14-10-9-12-17-18(13-11-15-22(24)26-2)20(28-30(6,7)8)16-19(17)27-29(3,4)5/h9-10,17-20H,11-16H2,1-8H3/b10-9+
InChIKeyCLQCBKPBFMJARU-MDZDMXLPSA-N
MW458.74 g/mol
LogP4.92
Rot. Bonds12

About methyl (E)-5-[2-(4-methoxy-4-oxobutyl)-3,5-bis(trimethylsilyloxy)cyclopentyl]pent-3-enoate

methyl (E)-5-[2-(4-methoxy-4-oxobutyl)-3,5-bis(trimethylsilyloxy)cyclopentyl]pent-3-enoate (PubChem CID 5378059) has the molecular formula C22H42O6Si2 and a molecular weight of 458.74 g/mol. Its IUPAC name is methyl (E)-5-[2-(4-methoxy-4-oxobutyl)-3,5-bis(trimethylsilyloxy)cyclopentyl]pent-3-enoate.

Molecular Properties

Compound Namemethyl (E)-5-[2-(4-methoxy-4-oxobutyl)-3,5-bis(trimethylsilyloxy)cyclopentyl]pent-3-enoate
PubChem CID5378059
Molecular FormulaC22H42O6Si2
Molecular Weight458.74 g/mol
Exact Mass458.25
IUPAC Namemethyl (E)-5-[2-(4-methoxy-4-oxobutyl)-3,5-bis(trimethylsilyloxy)cyclopentyl]pent-3-enoate
SMILESCOC(=O)C/C=C/CC1C(O[Si](C)(C)C)CC(O[Si](C)(C)C)C1CCCC(=O)OC
InChIInChI=1S/C22H42O6Si2/c1-25-21(23)14-10-9-12-17-18(13-11-15-22(24)26-2)20(28-30(6,7)8)16-19(17)27-29(3,4)5/h9-10,17-20H,11-16H2,1-8H3/b10-9+
InChIKeyCLQCBKPBFMJARU-MDZDMXLPSA-N
XLogP4.92
TPSA71.06 Ų
H-Bond Donors
H-Bond Acceptors6
Rotatable Bonds12
Heavy Atoms30
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500458.74
LogP ≤ 54.92
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'}

Analyze methyl (E)-5-[2-(4-methoxy-4-oxobutyl)-3,5-bis(trimethylsilyloxy)cyclopentyl]pent-3-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 methyl (E)-5-[2-(4-methoxy-4-oxobutyl)-3,5-bis(trimethylsilyloxy)cyclopentyl]pent-3-enoate?
The IUPAC name of methyl (E)-5-[2-(4-methoxy-4-oxobutyl)-3,5-bis(trimethylsilyloxy)cyclopentyl]pent-3-enoate (CID 5378059) is methyl (E)-5-[2-(4-methoxy-4-oxobutyl)-3,5-bis(trimethylsilyloxy)cyclopentyl]pent-3-enoate.
What is the SMILES notation for methyl (E)-5-[2-(4-methoxy-4-oxobutyl)-3,5-bis(trimethylsilyloxy)cyclopentyl]pent-3-enoate?
The canonical SMILES for methyl (E)-5-[2-(4-methoxy-4-oxobutyl)-3,5-bis(trimethylsilyloxy)cyclopentyl]pent-3-enoate is COC(=O)C/C=C/CC1C(O[Si](C)(C)C)CC(O[Si](C)(C)C)C1CCCC(=O)OC.
What is the InChIKey of methyl (E)-5-[2-(4-methoxy-4-oxobutyl)-3,5-bis(trimethylsilyloxy)cyclopentyl]pent-3-enoate?
The InChIKey is CLQCBKPBFMJARU-MDZDMXLPSA-N. The full InChI is InChI=1S/C22H42O6Si2/c1-25-21(23)14-10-9-12-17-18(13-11-15-22(24)26-2)20(28-30(6,7)8)16-19(17)27-29(3,4)5/h9-10,17-20H,11-16H2,1-8H3/b10-9+.
What are the key properties of methyl (E)-5-[2-(4-methoxy-4-oxobutyl)-3,5-bis(trimethylsilyloxy)cyclopentyl]pent-3-enoate?
methyl (E)-5-[2-(4-methoxy-4-oxobutyl)-3,5-bis(trimethylsilyloxy)cyclopentyl]pent-3-enoate has a molecular weight of 458.74 g/mol, XLogP of 4.92, 12 rotatable bonds, 0 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for methyl (E)-5-[2-(4-methoxy-4-oxobutyl)-3,5-bis(trimethylsilyloxy)cyclopentyl]pent-3-enoate is sourced from PubChem (CID 5378059), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).