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

C17H34O6Si2 — CID 173346870

IUPAC1-O-[2-[dimethyl(trimethylsilyloxy)silyl]-2-propoxyethyl] 4-O-propan-2-yl but-2-enedioate
SMILESCCCOC(COC(=O)C=CC(=O)OC(C)C)[Si](C)(C)O[Si](C)(C)C
InChIInChI=1S/C17H34O6Si2/c1-9-12-20-17(25(7,8)23-24(4,5)6)13-21-15(18)10-11-16(19)22-14(2)3/h10-11,14,17H,9,12-13H2,1-8H3
InChIKeyFVOWWMMKLMUGQT-UHFFFAOYSA-N
MW390.63 g/mol
LogP3.43
Rot. Bonds11

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

1-O-[2-[dimethyl(trimethylsilyloxy)silyl]-2-propoxyethyl] 4-O-propan-2-yl but-2-enedioate (PubChem CID 173346870) has the molecular formula C17H34O6Si2 and a molecular weight of 390.63 g/mol. Its IUPAC name is 1-O-[2-[dimethyl(trimethylsilyloxy)silyl]-2-propoxyethyl] 4-O-propan-2-yl but-2-enedioate.

Molecular Properties

Compound Name1-O-[2-[dimethyl(trimethylsilyloxy)silyl]-2-propoxyethyl] 4-O-propan-2-yl but-2-enedioate
PubChem CID173346870
Molecular FormulaC17H34O6Si2
Molecular Weight390.63 g/mol
Exact Mass390.19
IUPAC Name1-O-[2-[dimethyl(trimethylsilyloxy)silyl]-2-propoxyethyl] 4-O-propan-2-yl but-2-enedioate
SMILESCCCOC(COC(=O)C=CC(=O)OC(C)C)[Si](C)(C)O[Si](C)(C)C
InChIInChI=1S/C17H34O6Si2/c1-9-12-20-17(25(7,8)23-24(4,5)6)13-21-15(18)10-11-16(19)22-14(2)3/h10-11,14,17H,9,12-13H2,1-8H3
InChIKeyFVOWWMMKLMUGQT-UHFFFAOYSA-N
XLogP3.43
TPSA71.06 Ų
H-Bond Donors
H-Bond Acceptors6
Rotatable Bonds11
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500390.63
LogP ≤ 53.43
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 106

Computed Properties (RDKit)

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

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Related Compounds

1-O-pentyl 4-O-propan-2-yl (E)-but-2-enedioate
CID 91709963
1-O-decyl 4-O-propan-2-yl but-2-enedioate
CID 173393743
1-O-heptadecyl 4-O-propan-2-yl (E)-but-2-enedioate
CID 91709848
1-O-octadecyl 4-O-propan-2-yl (E)-but-2-enedioate
CID 91709849
butane;dipropan-2-yl (E)-but-2-enedioate
CID 90185025
4-O-but-3-yn-2-yl 1-O-propyl (E)-but-2-enedioate
CID 91717260
1-O-methyl 4-O-(1-propoxyethyl) but-2-enedioate
CID 54282781
1-O-[2-(dimethylamino)ethyl] 4-O-propan-2-yl but-2-enedioate
CID 85365439
1-O-[(2S)-2-(propanoylamino)propyl] 4-O-propan-2-yl (E)-but-2-enedioate
CID 126492299
4-O-pentan-3-yl 1-O-propyl (E)-but-2-enedioate
CID 91717412
propan-2-yl prop-2-enoate;propyl prop-2-enoate
CID 19001097
1-O-[(2S)-3-methyl-2-(2-methylpropanoylamino)butyl] 4-O-propan-2-yl (E)-but-2-enedioate
CID 126492353

Frequently Asked Questions

What is the IUPAC name of 1-O-[2-[dimethyl(trimethylsilyloxy)silyl]-2-propoxyethyl] 4-O-propan-2-yl but-2-enedioate?
The IUPAC name of 1-O-[2-[dimethyl(trimethylsilyloxy)silyl]-2-propoxyethyl] 4-O-propan-2-yl but-2-enedioate (CID 173346870) is 1-O-[2-[dimethyl(trimethylsilyloxy)silyl]-2-propoxyethyl] 4-O-propan-2-yl but-2-enedioate.
What is the SMILES notation for 1-O-[2-[dimethyl(trimethylsilyloxy)silyl]-2-propoxyethyl] 4-O-propan-2-yl but-2-enedioate?
The canonical SMILES for 1-O-[2-[dimethyl(trimethylsilyloxy)silyl]-2-propoxyethyl] 4-O-propan-2-yl but-2-enedioate is CCCOC(COC(=O)C=CC(=O)OC(C)C)[Si](C)(C)O[Si](C)(C)C.
What is the InChIKey of 1-O-[2-[dimethyl(trimethylsilyloxy)silyl]-2-propoxyethyl] 4-O-propan-2-yl but-2-enedioate?
The InChIKey is FVOWWMMKLMUGQT-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H34O6Si2/c1-9-12-20-17(25(7,8)23-24(4,5)6)13-21-15(18)10-11-16(19)22-14(2)3/h10-11,14,17H,9,12-13H2,1-8H3.
What are the key properties of 1-O-[2-[dimethyl(trimethylsilyloxy)silyl]-2-propoxyethyl] 4-O-propan-2-yl but-2-enedioate?
1-O-[2-[dimethyl(trimethylsilyloxy)silyl]-2-propoxyethyl] 4-O-propan-2-yl but-2-enedioate has a molecular weight of 390.63 g/mol, XLogP of 3.43, 11 rotatable bonds, 0 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 1-O-[2-[dimethyl(trimethylsilyloxy)silyl]-2-propoxyethyl] 4-O-propan-2-yl but-2-enedioate is sourced from PubChem (CID 173346870), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).