methyl 5-ethyl-2-methyl-7-trimethylsilyl-2-[2-tri(propan-2-yl)silyloxyethyl]hepta-5,6-dienoate

C25H50O3Si2 — CID 51349764

IUPACmethyl 5-ethyl-2-methyl-7-trimethylsilyl-2-[2-tri(propan-2-yl)silyloxyethyl]hepta-5,6-dienoate
SMILESCCC(=C=C[Si](C)(C)C)CCC(C)(CCO[Si](C(C)C)(C(C)C)C(C)C)C(=O)OC
InChIInChI=1S/C25H50O3Si2/c1-13-23(15-19-29(10,11)12)14-16-25(8,24(26)27-9)17-18-28-30(20(2)3,21(4)5)22(6)7/h19-22H,13-14,16-18H2,1-12H3
InChIKeyUMKRATWWQIWRSN-UHFFFAOYSA-N
MW454.84 g/mol
LogP7.90
Rot. Bonds13

About methyl 5-ethyl-2-methyl-7-trimethylsilyl-2-[2-tri(propan-2-yl)silyloxyethyl]hepta-5,6-dienoate

methyl 5-ethyl-2-methyl-7-trimethylsilyl-2-[2-tri(propan-2-yl)silyloxyethyl]hepta-5,6-dienoate (PubChem CID 51349764) has the molecular formula C25H50O3Si2 and a molecular weight of 454.84 g/mol. Its IUPAC name is methyl 5-ethyl-2-methyl-7-trimethylsilyl-2-[2-tri(propan-2-yl)silyloxyethyl]hepta-5,6-dienoate.

Molecular Properties

Compound Namemethyl 5-ethyl-2-methyl-7-trimethylsilyl-2-[2-tri(propan-2-yl)silyloxyethyl]hepta-5,6-dienoate
PubChem CID51349764
Molecular FormulaC25H50O3Si2
Molecular Weight454.84 g/mol
Exact Mass454.33
IUPAC Namemethyl 5-ethyl-2-methyl-7-trimethylsilyl-2-[2-tri(propan-2-yl)silyloxyethyl]hepta-5,6-dienoate
SMILESCCC(=C=C[Si](C)(C)C)CCC(C)(CCO[Si](C(C)C)(C(C)C)C(C)C)C(=O)OC
InChIInChI=1S/C25H50O3Si2/c1-13-23(15-19-29(10,11)12)14-16-25(8,24(26)27-9)17-18-28-30(20(2)3,21(4)5)22(6)7/h19-22H,13-14,16-18H2,1-12H3
InChIKeyUMKRATWWQIWRSN-UHFFFAOYSA-N
XLogP7.90
TPSA35.53 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds13
Heavy Atoms30
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500454.84
LogP ≤ 57.90
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

Analyze methyl 5-ethyl-2-methyl-7-trimethylsilyl-2-[2-tri(propan-2-yl)silyloxyethyl]hepta-5,6-dienoate 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 5-ethyl-2-methyl-7-trimethylsilyl-2-[2-tri(propan-2-yl)silyloxyethyl]hepta-5,6-dienoate?
The IUPAC name of methyl 5-ethyl-2-methyl-7-trimethylsilyl-2-[2-tri(propan-2-yl)silyloxyethyl]hepta-5,6-dienoate (CID 51349764) is methyl 5-ethyl-2-methyl-7-trimethylsilyl-2-[2-tri(propan-2-yl)silyloxyethyl]hepta-5,6-dienoate.
What is the SMILES notation for methyl 5-ethyl-2-methyl-7-trimethylsilyl-2-[2-tri(propan-2-yl)silyloxyethyl]hepta-5,6-dienoate?
The canonical SMILES for methyl 5-ethyl-2-methyl-7-trimethylsilyl-2-[2-tri(propan-2-yl)silyloxyethyl]hepta-5,6-dienoate is CCC(=C=C[Si](C)(C)C)CCC(C)(CCO[Si](C(C)C)(C(C)C)C(C)C)C(=O)OC.
What is the InChIKey of methyl 5-ethyl-2-methyl-7-trimethylsilyl-2-[2-tri(propan-2-yl)silyloxyethyl]hepta-5,6-dienoate?
The InChIKey is UMKRATWWQIWRSN-UHFFFAOYSA-N. The full InChI is InChI=1S/C25H50O3Si2/c1-13-23(15-19-29(10,11)12)14-16-25(8,24(26)27-9)17-18-28-30(20(2)3,21(4)5)22(6)7/h19-22H,13-14,16-18H2,1-12H3.
What are the key properties of methyl 5-ethyl-2-methyl-7-trimethylsilyl-2-[2-tri(propan-2-yl)silyloxyethyl]hepta-5,6-dienoate?
methyl 5-ethyl-2-methyl-7-trimethylsilyl-2-[2-tri(propan-2-yl)silyloxyethyl]hepta-5,6-dienoate has a molecular weight of 454.84 g/mol, XLogP of 7.90, 13 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for methyl 5-ethyl-2-methyl-7-trimethylsilyl-2-[2-tri(propan-2-yl)silyloxyethyl]hepta-5,6-dienoate is sourced from PubChem (CID 51349764), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).