[4,5-bis[[tert-butyl(dimethyl)silyl]oxy]-6-methoxy-2-methyloxan-3-yl] (E)-but-2-enoate

C23H46O6Si2 — CID 135079920

IUPAC[4,5-bis[[tert-butyl(dimethyl)silyl]oxy]-6-methoxy-2-methyloxan-3-yl] (E)-but-2-enoate
SMILESC/C=C/C(=O)OC1C(C)OC(OC)C(O[Si](C)(C)C(C)(C)C)C1O[Si](C)(C)C(C)(C)C
InChIInChI=1S/C23H46O6Si2/c1-14-15-17(24)27-18-16(2)26-21(25-9)20(29-31(12,13)23(6,7)8)19(18)28-30(10,11)22(3,4)5/h14-16,18-21H,1-13H3/b15-14+
InChIKeyLCDXIBZQQGBYNQ-CCEZHUSRSA-N
MW474.79 g/mol
LogP5.65
Rot. Bonds7

About [4,5-bis[[tert-butyl(dimethyl)silyl]oxy]-6-methoxy-2-methyloxan-3-yl] (E)-but-2-enoate

[4,5-bis[[tert-butyl(dimethyl)silyl]oxy]-6-methoxy-2-methyloxan-3-yl] (E)-but-2-enoate (PubChem CID 135079920) has the molecular formula C23H46O6Si2 and a molecular weight of 474.79 g/mol. Its IUPAC name is [4,5-bis[[tert-butyl(dimethyl)silyl]oxy]-6-methoxy-2-methyloxan-3-yl] (E)-but-2-enoate.

Molecular Properties

Compound Name[4,5-bis[[tert-butyl(dimethyl)silyl]oxy]-6-methoxy-2-methyloxan-3-yl] (E)-but-2-enoate
PubChem CID135079920
Molecular FormulaC23H46O6Si2
Molecular Weight474.79 g/mol
Exact Mass474.28
IUPAC Name[4,5-bis[[tert-butyl(dimethyl)silyl]oxy]-6-methoxy-2-methyloxan-3-yl] (E)-but-2-enoate
SMILESC/C=C/C(=O)OC1C(C)OC(OC)C(O[Si](C)(C)C(C)(C)C)C1O[Si](C)(C)C(C)(C)C
InChIInChI=1S/C23H46O6Si2/c1-14-15-17(24)27-18-16(2)26-21(25-9)20(29-31(12,13)23(6,7)8)19(18)28-30(10,11)22(3,4)5/h14-16,18-21H,1-13H3/b15-14+
InChIKeyLCDXIBZQQGBYNQ-CCEZHUSRSA-N
XLogP5.65
TPSA63.22 Ų
H-Bond Donors
H-Bond Acceptors6
Rotatable Bonds7
Heavy Atoms31
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500474.79
LogP ≤ 55.65
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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Launch Full Analysis

Related Compounds

[(3R,6S)-4,5-bis[[tert-butyl(dimethyl)silyl]oxy]-6-methoxy-2-methyloxan-3-yl] (E)-but-2-enoate
CID 134835383
[(3R,4S,6S)-4,5-bis[[tert-butyl(dimethyl)silyl]oxy]-6-methoxy-2-methyloxan-3-yl] prop-2-enoate
CID 134867143
[(3R,4S,6S)-4,5-bis[[tert-butyl(dimethyl)silyl]oxy]-6-methoxy-2-methyloxan-3-yl] (E)-but-2-enoate
CID 134867144
allyl(-2)[allyl(-3)][allyl(-4)][TBDMS(-6)]Glc-O-iPr
CID 146018811
TBDMS(-2)D-Fuc4Ac(a)-O-allyl
CID 24879702
[3,4,5-Tris[[tert-butyl(dimethyl)silyl]oxy]-6-prop-2-enoxyoxan-2-yl]methyl acetate
CID 58751426
tert-butyl (E)-6-[(2S,3R,5R,6S)-3,5-bis[[tert-butyl(dimethyl)silyl]oxy]-6-methyloxan-2-yl]oxy-6-methylhept-2-enoate
CID 155725412
methyl (E,6R)-6-[(2R,3R,5R,6S)-3,5-bis[[tert-butyl(dimethyl)silyl]oxy]-6-methyloxan-2-yl]oxyhept-2-enoate
CID 155725441
(E,6R)-6-[(2R,3R,5R,6S)-3,5-bis[[tert-butyl(dimethyl)silyl]oxy]-6-methyloxan-2-yl]oxyhept-2-enoic acid
CID 155725461
ethyl (Z,6R)-6-[(2R,3R,5R,6S)-3,5-bis[[tert-butyl(dimethyl)silyl]oxy]-6-methyloxan-2-yl]oxyhept-2-enoate
CID 155725475
ethyl (Z,6R)-6-[(2R,3R,5R,6S)-3-[tert-butyl(dimethyl)silyl]oxy-5,6-dimethyloxan-2-yl]oxyhept-2-enoate
CID 167539606
methyl (E,6R)-6-[(2R,3R,5R,6S)-3-[tert-butyl(dimethyl)silyl]oxy-5,6-dimethyloxan-2-yl]oxyhept-2-enoate
CID 167626057

Frequently Asked Questions

What is the IUPAC name of [4,5-bis[[tert-butyl(dimethyl)silyl]oxy]-6-methoxy-2-methyloxan-3-yl] (E)-but-2-enoate?
The IUPAC name of [4,5-bis[[tert-butyl(dimethyl)silyl]oxy]-6-methoxy-2-methyloxan-3-yl] (E)-but-2-enoate (CID 135079920) is [4,5-bis[[tert-butyl(dimethyl)silyl]oxy]-6-methoxy-2-methyloxan-3-yl] (E)-but-2-enoate.
What is the SMILES notation for [4,5-bis[[tert-butyl(dimethyl)silyl]oxy]-6-methoxy-2-methyloxan-3-yl] (E)-but-2-enoate?
The canonical SMILES for [4,5-bis[[tert-butyl(dimethyl)silyl]oxy]-6-methoxy-2-methyloxan-3-yl] (E)-but-2-enoate is C/C=C/C(=O)OC1C(C)OC(OC)C(O[Si](C)(C)C(C)(C)C)C1O[Si](C)(C)C(C)(C)C.
What is the InChIKey of [4,5-bis[[tert-butyl(dimethyl)silyl]oxy]-6-methoxy-2-methyloxan-3-yl] (E)-but-2-enoate?
The InChIKey is LCDXIBZQQGBYNQ-CCEZHUSRSA-N. The full InChI is InChI=1S/C23H46O6Si2/c1-14-15-17(24)27-18-16(2)26-21(25-9)20(29-31(12,13)23(6,7)8)19(18)28-30(10,11)22(3,4)5/h14-16,18-21H,1-13H3/b15-14+.
What are the key properties of [4,5-bis[[tert-butyl(dimethyl)silyl]oxy]-6-methoxy-2-methyloxan-3-yl] (E)-but-2-enoate?
[4,5-bis[[tert-butyl(dimethyl)silyl]oxy]-6-methoxy-2-methyloxan-3-yl] (E)-but-2-enoate has a molecular weight of 474.79 g/mol, XLogP of 5.65, 7 rotatable bonds, 0 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for [4,5-bis[[tert-butyl(dimethyl)silyl]oxy]-6-methoxy-2-methyloxan-3-yl] (E)-but-2-enoate is sourced from PubChem (CID 135079920), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).