bis[3-bis(trimethylsilyloxy)silylpropyl] 2-methylidenebutanedioate

C23H54O8Si6 — CID 173466143

IUPACbis[3-bis(trimethylsilyloxy)silylpropyl] 2-methylidenebutanedioate
SMILESC=C(CC(=O)OCCC[SiH](O[Si](C)(C)C)O[Si](C)(C)C)C(=O)OCCC[SiH](O[Si](C)(C)C)O[Si](C)(C)C
InChIInChI=1S/C23H54O8Si6/c1-21(23(25)27-17-15-19-33(30-36(8,9)10)31-37(11,12)13)20-22(24)26-16-14-18-32(28-34(2,3)4)29-35(5,6)7/h32-33H,1,14-20H2,2-13H3
InChIKeyFPYSBJBKGQXCPY-UHFFFAOYSA-N
MW627.19 g/mol
LogP5.65
Rot. Bonds19

About bis[3-bis(trimethylsilyloxy)silylpropyl] 2-methylidenebutanedioate

bis[3-bis(trimethylsilyloxy)silylpropyl] 2-methylidenebutanedioate (PubChem CID 173466143) has the molecular formula C23H54O8Si6 and a molecular weight of 627.19 g/mol. Its IUPAC name is bis[3-bis(trimethylsilyloxy)silylpropyl] 2-methylidenebutanedioate.

Molecular Properties

Compound Namebis[3-bis(trimethylsilyloxy)silylpropyl] 2-methylidenebutanedioate
PubChem CID173466143
Molecular FormulaC23H54O8Si6
Molecular Weight627.19 g/mol
Exact Mass626.24
IUPAC Namebis[3-bis(trimethylsilyloxy)silylpropyl] 2-methylidenebutanedioate
SMILESC=C(CC(=O)OCCC[SiH](O[Si](C)(C)C)O[Si](C)(C)C)C(=O)OCCC[SiH](O[Si](C)(C)C)O[Si](C)(C)C
InChIInChI=1S/C23H54O8Si6/c1-21(23(25)27-17-15-19-33(30-36(8,9)10)31-37(11,12)13)20-22(24)26-16-14-18-32(28-34(2,3)4)29-35(5,6)7/h32-33H,1,14-20H2,2-13H3
InChIKeyFPYSBJBKGQXCPY-UHFFFAOYSA-N
XLogP5.65
TPSA89.52 Ų
H-Bond Donors
H-Bond Acceptors8
Rotatable Bonds19
Heavy Atoms37
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500627.19
LogP ≤ 55.65
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 108

Computed Properties (RDKit)

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

Analyze bis[3-bis(trimethylsilyloxy)silylpropyl] 2-methylidenebutanedioate with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

dipentyl 2-methylidenebutanedioate
CID 18618577
dioctacosyl 2-methylidenebutanedioate
CID 175314352
4-O-hexyl 1-O-octyl 2-methylidenebutanedioate
CID 174828394
dinonyl 2-methylidenebutanedioate
CID 18618584
4-O-(2-hydroxyethyl) 1-O-pentyl 2-methylidenebutanedioate
CID 159609621
bis(7-methyloctyl) 2-methylidenebutanedioate
CID 89414973
bis(2-sulfanylethyl) 2-methylidenebutanedioate
CID 54397703
bis(3-methylsilyloxysilylpropyl) 2-methylidenebutanedioate
CID 173377399
dioctyl 2-methylidenebutanedioate;2-methylbuta-1,3-diene
CID 174651213
dibutyl 2-methylidenebutanedioate;diethyl decanedioate
CID 158717623
bis(octadec-9-enyl) 2-methylidenebutanedioate
CID 54504227
4-O-[dimethyl(propan-2-yl)silyl] 1-O-pentyl 2-methylidenebutanedioate
CID 139703200

Frequently Asked Questions

What is the IUPAC name of bis[3-bis(trimethylsilyloxy)silylpropyl] 2-methylidenebutanedioate?
The IUPAC name of bis[3-bis(trimethylsilyloxy)silylpropyl] 2-methylidenebutanedioate (CID 173466143) is bis[3-bis(trimethylsilyloxy)silylpropyl] 2-methylidenebutanedioate.
What is the SMILES notation for bis[3-bis(trimethylsilyloxy)silylpropyl] 2-methylidenebutanedioate?
The canonical SMILES for bis[3-bis(trimethylsilyloxy)silylpropyl] 2-methylidenebutanedioate is C=C(CC(=O)OCCC[SiH](O[Si](C)(C)C)O[Si](C)(C)C)C(=O)OCCC[SiH](O[Si](C)(C)C)O[Si](C)(C)C.
What is the InChIKey of bis[3-bis(trimethylsilyloxy)silylpropyl] 2-methylidenebutanedioate?
The InChIKey is FPYSBJBKGQXCPY-UHFFFAOYSA-N. The full InChI is InChI=1S/C23H54O8Si6/c1-21(23(25)27-17-15-19-33(30-36(8,9)10)31-37(11,12)13)20-22(24)26-16-14-18-32(28-34(2,3)4)29-35(5,6)7/h32-33H,1,14-20H2,2-13H3.
What are the key properties of bis[3-bis(trimethylsilyloxy)silylpropyl] 2-methylidenebutanedioate?
bis[3-bis(trimethylsilyloxy)silylpropyl] 2-methylidenebutanedioate has a molecular weight of 627.19 g/mol, XLogP of 5.65, 19 rotatable bonds, 0 hydrogen bond donors, and 8 hydrogen bond acceptors.
Where does this data come from?
All data for bis[3-bis(trimethylsilyloxy)silylpropyl] 2-methylidenebutanedioate is sourced from PubChem (CID 173466143), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).