(Z)-3-[(2S,3R,4R,6R)-4-[tert-butyl(dimethyl)silyl]oxy-6-[(E)-4-[tert-butyl(dimethyl)silyl]oxybut-2-enyl]-3-methyloxan-2-yl]-2-methylprop-2-enal

C26H50O4Si2 — CID 11363689

IUPAC(Z)-3-[(2S,3R,4R,6R)-4-[tert-butyl(dimethyl)silyl]oxy-6-[(E)-4-[tert-butyl(dimethyl)silyl]oxybut-2-enyl]-3-methyloxan-2-yl]-2-methylprop-2-enal
SMILESC/C(C=O)=C/[C@@H]1O[C@H](C/C=C/CO[Si](C)(C)C(C)(C)C)C[C@@H](O[Si](C)(C)C(C)(C)C)[C@@H]1C
InChIInChI=1S/C26H50O4Si2/c1-20(19-27)17-23-21(2)24(30-32(11,12)26(6,7)8)18-22(29-23)15-13-14-16-28-31(9,10)25(3,4)5/h13-14,17,19,21-24H,15-16,18H2,1-12H3/b14-13+,20-17-/t21-,22-,23+,24-/m1/s1
InChIKeyDHTJMDOTVQBIHE-PPGFQUDXSA-N
MW482.85 g/mol
LogP7.28
Rot. Bonds9

About (Z)-3-[(2S,3R,4R,6R)-4-[tert-butyl(dimethyl)silyl]oxy-6-[(E)-4-[tert-butyl(dimethyl)silyl]oxybut-2-enyl]-3-methyloxan-2-yl]-2-methylprop-2-enal

(Z)-3-[(2S,3R,4R,6R)-4-[tert-butyl(dimethyl)silyl]oxy-6-[(E)-4-[tert-butyl(dimethyl)silyl]oxybut-2-enyl]-3-methyloxan-2-yl]-2-methylprop-2-enal (PubChem CID 11363689) has the molecular formula C26H50O4Si2 and a molecular weight of 482.85 g/mol. Its IUPAC name is (Z)-3-[(2S,3R,4R,6R)-4-[tert-butyl(dimethyl)silyl]oxy-6-[(E)-4-[tert-butyl(dimethyl)silyl]oxybut-2-enyl]-3-methyloxan-2-yl]-2-methylprop-2-enal.

Molecular Properties

Compound Name(Z)-3-[(2S,3R,4R,6R)-4-[tert-butyl(dimethyl)silyl]oxy-6-[(E)-4-[tert-butyl(dimethyl)silyl]oxybut-2-enyl]-3-methyloxan-2-yl]-2-methylprop-2-enal
PubChem CID11363689
Molecular FormulaC26H50O4Si2
Molecular Weight482.85 g/mol
Exact Mass482.32
IUPAC Name(Z)-3-[(2S,3R,4R,6R)-4-[tert-butyl(dimethyl)silyl]oxy-6-[(E)-4-[tert-butyl(dimethyl)silyl]oxybut-2-enyl]-3-methyloxan-2-yl]-2-methylprop-2-enal
SMILESC/C(C=O)=C/[C@@H]1O[C@H](C/C=C/CO[Si](C)(C)C(C)(C)C)C[C@@H](O[Si](C)(C)C(C)(C)C)[C@@H]1C
InChIInChI=1S/C26H50O4Si2/c1-20(19-27)17-23-21(2)24(30-32(11,12)26(6,7)8)18-22(29-23)15-13-14-16-28-31(9,10)25(3,4)5/h13-14,17,19,21-24H,15-16,18H2,1-12H3/b14-13+,20-17-/t21-,22-,23+,24-/m1/s1
InChIKeyDHTJMDOTVQBIHE-PPGFQUDXSA-N
XLogP7.28
TPSA44.76 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds9
Heavy Atoms32
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500482.85
LogP ≤ 57.28
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of (Z)-3-[(2S,3R,4R,6R)-4-[tert-butyl(dimethyl)silyl]oxy-6-[(E)-4-[tert-butyl(dimethyl)silyl]oxybut-2-enyl]-3-methyloxan-2-yl]-2-methylprop-2-enal?
The IUPAC name of (Z)-3-[(2S,3R,4R,6R)-4-[tert-butyl(dimethyl)silyl]oxy-6-[(E)-4-[tert-butyl(dimethyl)silyl]oxybut-2-enyl]-3-methyloxan-2-yl]-2-methylprop-2-enal (CID 11363689) is (Z)-3-[(2S,3R,4R,6R)-4-[tert-butyl(dimethyl)silyl]oxy-6-[(E)-4-[tert-butyl(dimethyl)silyl]oxybut-2-enyl]-3-methyloxan-2-yl]-2-methylprop-2-enal.
What is the SMILES notation for (Z)-3-[(2S,3R,4R,6R)-4-[tert-butyl(dimethyl)silyl]oxy-6-[(E)-4-[tert-butyl(dimethyl)silyl]oxybut-2-enyl]-3-methyloxan-2-yl]-2-methylprop-2-enal?
The canonical SMILES for (Z)-3-[(2S,3R,4R,6R)-4-[tert-butyl(dimethyl)silyl]oxy-6-[(E)-4-[tert-butyl(dimethyl)silyl]oxybut-2-enyl]-3-methyloxan-2-yl]-2-methylprop-2-enal is C/C(C=O)=C/[C@@H]1O[C@H](C/C=C/CO[Si](C)(C)C(C)(C)C)C[C@@H](O[Si](C)(C)C(C)(C)C)[C@@H]1C.
What is the InChIKey of (Z)-3-[(2S,3R,4R,6R)-4-[tert-butyl(dimethyl)silyl]oxy-6-[(E)-4-[tert-butyl(dimethyl)silyl]oxybut-2-enyl]-3-methyloxan-2-yl]-2-methylprop-2-enal?
The InChIKey is DHTJMDOTVQBIHE-PPGFQUDXSA-N. The full InChI is InChI=1S/C26H50O4Si2/c1-20(19-27)17-23-21(2)24(30-32(11,12)26(6,7)8)18-22(29-23)15-13-14-16-28-31(9,10)25(3,4)5/h13-14,17,19,21-24H,15-16,18H2,1-12H3/b14-13+,20-17-/t21-,22-,23+,24-/m1/s1.
What are the key properties of (Z)-3-[(2S,3R,4R,6R)-4-[tert-butyl(dimethyl)silyl]oxy-6-[(E)-4-[tert-butyl(dimethyl)silyl]oxybut-2-enyl]-3-methyloxan-2-yl]-2-methylprop-2-enal?
(Z)-3-[(2S,3R,4R,6R)-4-[tert-butyl(dimethyl)silyl]oxy-6-[(E)-4-[tert-butyl(dimethyl)silyl]oxybut-2-enyl]-3-methyloxan-2-yl]-2-methylprop-2-enal has a molecular weight of 482.85 g/mol, XLogP of 7.28, 9 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for (Z)-3-[(2S,3R,4R,6R)-4-[tert-butyl(dimethyl)silyl]oxy-6-[(E)-4-[tert-butyl(dimethyl)silyl]oxybut-2-enyl]-3-methyloxan-2-yl]-2-methylprop-2-enal is sourced from PubChem (CID 11363689), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).