1-O-methyl 4-O-[5-oxo-5-tri(propan-2-yl)silyloxypentyl] but-2-enedioate

C19H34O6Si — CID 91313467

IUPAC1-O-methyl 4-O-[5-oxo-5-tri(propan-2-yl)silyloxypentyl] but-2-enedioate
SMILESCOC(=O)C=CC(=O)OCCCCC(=O)O[Si](C(C)C)(C(C)C)C(C)C
InChIInChI=1S/C19H34O6Si/c1-14(2)26(15(3)4,16(5)6)25-19(22)10-8-9-13-24-18(21)12-11-17(20)23-7/h11-12,14-16H,8-10,13H2,1-7H3
InChIKeyVXNUIRNXJHIAHH-UHFFFAOYSA-N
MW386.56 g/mol
LogP4.15
Rot. Bonds11

About 1-O-methyl 4-O-[5-oxo-5-tri(propan-2-yl)silyloxypentyl] but-2-enedioate

1-O-methyl 4-O-[5-oxo-5-tri(propan-2-yl)silyloxypentyl] but-2-enedioate (PubChem CID 91313467) has the molecular formula C19H34O6Si and a molecular weight of 386.56 g/mol. Its IUPAC name is 1-O-methyl 4-O-[5-oxo-5-tri(propan-2-yl)silyloxypentyl] but-2-enedioate.

Molecular Properties

Compound Name1-O-methyl 4-O-[5-oxo-5-tri(propan-2-yl)silyloxypentyl] but-2-enedioate
PubChem CID91313467
Molecular FormulaC19H34O6Si
Molecular Weight386.56 g/mol
Exact Mass386.21
IUPAC Name1-O-methyl 4-O-[5-oxo-5-tri(propan-2-yl)silyloxypentyl] but-2-enedioate
SMILESCOC(=O)C=CC(=O)OCCCCC(=O)O[Si](C(C)C)(C(C)C)C(C)C
InChIInChI=1S/C19H34O6Si/c1-14(2)26(15(3)4,16(5)6)25-19(22)10-8-9-13-24-18(21)12-11-17(20)23-7/h11-12,14-16H,8-10,13H2,1-7H3
InChIKeyVXNUIRNXJHIAHH-UHFFFAOYSA-N
XLogP4.15
TPSA78.90 Ų
H-Bond Donors
H-Bond Acceptors6
Rotatable Bonds11
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500386.56
LogP ≤ 54.15
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 106

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 1-O-methyl 4-O-[5-oxo-5-tri(propan-2-yl)silyloxypentyl] but-2-enedioate 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

1-O-methyl 4-O-[2-oxo-2-tri(propan-2-yl)silyloxyethyl] but-2-enedioate
CID 91372829
4-O-[5-(3,3-dimethylbutanoyloxy)-5-oxopentyl] 1-O-methyl but-2-enedioate
CID 90753854
1-O-methyl 4-O-(4-oxohexyl) (E)-but-2-enedioate
CID 153005942
(Z)-4-oxo-4-[5-tri(propan-2-yl)silylpentoxy]but-2-enoic acid
CID 87900135
bis[tri(propan-2-yl)silyl] but-2-enedioate
CID 123991340
4-O-[dimethyl(propan-2-yl)silyl] 1-O-pentyl (Z)-but-2-enedioate
CID 139703201
1-O-methyl 4-O-[1-oxo-1-tri(propan-2-yl)silyloxypentan-2-yl] (Z)-but-2-enedioate
CID 87706788
1-O-methyl 4-O-[3-tris(trimethylsilyloxy)silylpropyl] but-2-enedioate
CID 54485160
4-O-[5-[2-(2-bromophenyl)acetyl]oxy-5-oxopentyl] 1-O-methyl but-2-enedioate
CID 90749240
bis(11-methyldodecyl) (E)-but-2-enedioate
CID 6366102
4-O-[2-[(2S)-2-amino-3-methylbutanoyl]oxyethyl] 1-O-methyl (E)-but-2-enedioate
CID 90254355
(Z)-4-oxo-4-tri(propan-2-yl)silyloxybut-2-enoic acid
CID 167577175

Frequently Asked Questions

What is the IUPAC name of 1-O-methyl 4-O-[5-oxo-5-tri(propan-2-yl)silyloxypentyl] but-2-enedioate?
The IUPAC name of 1-O-methyl 4-O-[5-oxo-5-tri(propan-2-yl)silyloxypentyl] but-2-enedioate (CID 91313467) is 1-O-methyl 4-O-[5-oxo-5-tri(propan-2-yl)silyloxypentyl] but-2-enedioate.
What is the SMILES notation for 1-O-methyl 4-O-[5-oxo-5-tri(propan-2-yl)silyloxypentyl] but-2-enedioate?
The canonical SMILES for 1-O-methyl 4-O-[5-oxo-5-tri(propan-2-yl)silyloxypentyl] but-2-enedioate is COC(=O)C=CC(=O)OCCCCC(=O)O[Si](C(C)C)(C(C)C)C(C)C.
What is the InChIKey of 1-O-methyl 4-O-[5-oxo-5-tri(propan-2-yl)silyloxypentyl] but-2-enedioate?
The InChIKey is VXNUIRNXJHIAHH-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H34O6Si/c1-14(2)26(15(3)4,16(5)6)25-19(22)10-8-9-13-24-18(21)12-11-17(20)23-7/h11-12,14-16H,8-10,13H2,1-7H3.
What are the key properties of 1-O-methyl 4-O-[5-oxo-5-tri(propan-2-yl)silyloxypentyl] but-2-enedioate?
1-O-methyl 4-O-[5-oxo-5-tri(propan-2-yl)silyloxypentyl] but-2-enedioate has a molecular weight of 386.56 g/mol, XLogP of 4.15, 11 rotatable bonds, 0 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 1-O-methyl 4-O-[5-oxo-5-tri(propan-2-yl)silyloxypentyl] but-2-enedioate is sourced from PubChem (CID 91313467), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).