4-O-[1-[1-[dimethyl(trimethylsilyloxy)silyl]propoxy]ethyl] 1-O-propan-2-yl (E)-but-2-enedioate

C17H34O6Si2 — CID 19766573

IUPAC4-O-[1-[1-[dimethyl(trimethylsilyloxy)silyl]propoxy]ethyl] 1-O-propan-2-yl (E)-but-2-enedioate
SMILESCCC(OC(C)OC(=O)/C=C/C(=O)OC(C)C)[Si](C)(C)O[Si](C)(C)C
InChIInChI=1S/C17H34O6Si2/c1-10-17(25(8,9)23-24(5,6)7)22-14(4)21-16(19)12-11-15(18)20-13(2)3/h11-14,17H,10H2,1-9H3/b12-11+
InChIKeyLQABYBLTLSLKJP-VAWYXSNFSA-N
MW390.63 g/mol
LogP3.77
Rot. Bonds10

About 4-O-[1-[1-[dimethyl(trimethylsilyloxy)silyl]propoxy]ethyl] 1-O-propan-2-yl (E)-but-2-enedioate

4-O-[1-[1-[dimethyl(trimethylsilyloxy)silyl]propoxy]ethyl] 1-O-propan-2-yl (E)-but-2-enedioate (PubChem CID 19766573) has the molecular formula C17H34O6Si2 and a molecular weight of 390.63 g/mol. Its IUPAC name is 4-O-[1-[1-[dimethyl(trimethylsilyloxy)silyl]propoxy]ethyl] 1-O-propan-2-yl (E)-but-2-enedioate.

Molecular Properties

Compound Name4-O-[1-[1-[dimethyl(trimethylsilyloxy)silyl]propoxy]ethyl] 1-O-propan-2-yl (E)-but-2-enedioate
PubChem CID19766573
Molecular FormulaC17H34O6Si2
Molecular Weight390.63 g/mol
Exact Mass390.19
IUPAC Name4-O-[1-[1-[dimethyl(trimethylsilyloxy)silyl]propoxy]ethyl] 1-O-propan-2-yl (E)-but-2-enedioate
SMILESCCC(OC(C)OC(=O)/C=C/C(=O)OC(C)C)[Si](C)(C)O[Si](C)(C)C
InChIInChI=1S/C17H34O6Si2/c1-10-17(25(8,9)23-24(5,6)7)22-14(4)21-16(19)12-11-15(18)20-13(2)3/h11-14,17H,10H2,1-9H3/b12-11+
InChIKeyLQABYBLTLSLKJP-VAWYXSNFSA-N
XLogP3.77
TPSA71.06 Ų
H-Bond Donors
H-Bond Acceptors6
Rotatable Bonds10
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500390.63
LogP ≤ 53.77
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 106

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'heavy_metal', 'substructure': 'N/A'}, {'alert_name': 'het-C-het_not_in_ring', 'substructure': 'N/A'}, {'alert_name': 'Michael_acceptor_1', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of 4-O-[1-[1-[dimethyl(trimethylsilyloxy)silyl]propoxy]ethyl] 1-O-propan-2-yl (E)-but-2-enedioate?
The IUPAC name of 4-O-[1-[1-[dimethyl(trimethylsilyloxy)silyl]propoxy]ethyl] 1-O-propan-2-yl (E)-but-2-enedioate (CID 19766573) is 4-O-[1-[1-[dimethyl(trimethylsilyloxy)silyl]propoxy]ethyl] 1-O-propan-2-yl (E)-but-2-enedioate.
What is the SMILES notation for 4-O-[1-[1-[dimethyl(trimethylsilyloxy)silyl]propoxy]ethyl] 1-O-propan-2-yl (E)-but-2-enedioate?
The canonical SMILES for 4-O-[1-[1-[dimethyl(trimethylsilyloxy)silyl]propoxy]ethyl] 1-O-propan-2-yl (E)-but-2-enedioate is CCC(OC(C)OC(=O)/C=C/C(=O)OC(C)C)[Si](C)(C)O[Si](C)(C)C.
What is the InChIKey of 4-O-[1-[1-[dimethyl(trimethylsilyloxy)silyl]propoxy]ethyl] 1-O-propan-2-yl (E)-but-2-enedioate?
The InChIKey is LQABYBLTLSLKJP-VAWYXSNFSA-N. The full InChI is InChI=1S/C17H34O6Si2/c1-10-17(25(8,9)23-24(5,6)7)22-14(4)21-16(19)12-11-15(18)20-13(2)3/h11-14,17H,10H2,1-9H3/b12-11+.
What are the key properties of 4-O-[1-[1-[dimethyl(trimethylsilyloxy)silyl]propoxy]ethyl] 1-O-propan-2-yl (E)-but-2-enedioate?
4-O-[1-[1-[dimethyl(trimethylsilyloxy)silyl]propoxy]ethyl] 1-O-propan-2-yl (E)-but-2-enedioate has a molecular weight of 390.63 g/mol, XLogP of 3.77, 10 rotatable bonds, 0 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 4-O-[1-[1-[dimethyl(trimethylsilyloxy)silyl]propoxy]ethyl] 1-O-propan-2-yl (E)-but-2-enedioate is sourced from PubChem (CID 19766573), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).