methyl (Z)-3-[(2R,3S,3aS,5R,6aR)-3-[tert-butyl(dimethyl)silyl]oxy-2-methyl-5-triethylsilyloxy-3,3a,6,6a-tetrahydro-2H-furo[3,2-b]furan-5-yl]prop-2-enoate

C23H44O6Si2 — CID 71733142

IUPACmethyl (Z)-3-[(2R,3S,3aS,5R,6aR)-3-[tert-butyl(dimethyl)silyl]oxy-2-methyl-5-triethylsilyloxy-3,3a,6,6a-tetrahydro-2H-furo[3,2-b]furan-5-yl]prop-2-enoate
SMILESCC[Si](CC)(CC)O[C@@]1(/C=C\C(=O)OC)C[C@H]2O[C@H](C)[C@H](O[Si](C)(C)C(C)(C)C)[C@H]2O1
InChIInChI=1S/C23H44O6Si2/c1-11-31(12-2,13-3)29-23(15-14-19(24)25-8)16-18-21(27-23)20(17(4)26-18)28-30(9,10)22(5,6)7/h14-15,17-18,20-21H,11-13,16H2,1-10H3/b15-14-/t17-,18-,20+,21+,23+/m1/s1
InChIKeyBIXIFQWILSVFGV-CLEFFPSRSA-N
MW472.77 g/mol
LogP5.40
Rot. Bonds9

About methyl (Z)-3-[(2R,3S,3aS,5R,6aR)-3-[tert-butyl(dimethyl)silyl]oxy-2-methyl-5-triethylsilyloxy-3,3a,6,6a-tetrahydro-2H-furo[3,2-b]furan-5-yl]prop-2-enoate

methyl (Z)-3-[(2R,3S,3aS,5R,6aR)-3-[tert-butyl(dimethyl)silyl]oxy-2-methyl-5-triethylsilyloxy-3,3a,6,6a-tetrahydro-2H-furo[3,2-b]furan-5-yl]prop-2-enoate (PubChem CID 71733142) has the molecular formula C23H44O6Si2 and a molecular weight of 472.77 g/mol. Its IUPAC name is methyl (Z)-3-[(2R,3S,3aS,5R,6aR)-3-[tert-butyl(dimethyl)silyl]oxy-2-methyl-5-triethylsilyloxy-3,3a,6,6a-tetrahydro-2H-furo[3,2-b]furan-5-yl]prop-2-enoate.

Molecular Properties

Compound Namemethyl (Z)-3-[(2R,3S,3aS,5R,6aR)-3-[tert-butyl(dimethyl)silyl]oxy-2-methyl-5-triethylsilyloxy-3,3a,6,6a-tetrahydro-2H-furo[3,2-b]furan-5-yl]prop-2-enoate
PubChem CID71733142
Molecular FormulaC23H44O6Si2
Molecular Weight472.77 g/mol
Exact Mass472.27
IUPAC Namemethyl (Z)-3-[(2R,3S,3aS,5R,6aR)-3-[tert-butyl(dimethyl)silyl]oxy-2-methyl-5-triethylsilyloxy-3,3a,6,6a-tetrahydro-2H-furo[3,2-b]furan-5-yl]prop-2-enoate
SMILESCC[Si](CC)(CC)O[C@@]1(/C=C\C(=O)OC)C[C@H]2O[C@H](C)[C@H](O[Si](C)(C)C(C)(C)C)[C@H]2O1
InChIInChI=1S/C23H44O6Si2/c1-11-31(12-2,13-3)29-23(15-14-19(24)25-8)16-18-21(27-23)20(17(4)26-18)28-30(9,10)22(5,6)7/h14-15,17-18,20-21H,11-13,16H2,1-10H3/b15-14-/t17-,18-,20+,21+,23+/m1/s1
InChIKeyBIXIFQWILSVFGV-CLEFFPSRSA-N
XLogP5.40
TPSA63.22 Ų
H-Bond Donors
H-Bond Acceptors6
Rotatable Bonds9
Heavy Atoms31
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500472.77
LogP ≤ 55.40
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'}

Analyze methyl (Z)-3-[(2R,3S,3aS,5R,6aR)-3-[tert-butyl(dimethyl)silyl]oxy-2-methyl-5-triethylsilyloxy-3,3a,6,6a-tetrahydro-2H-furo[3,2-b]furan-5-yl]prop-2-enoate with MolForge

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Related Compounds

(13Z)-7-[tert-butyl(dimethyl)silyl]oxy-10-methyl-1,4,11-trioxaspiro[4.9]tetradec-13-en-12-one
CID 11760087
ethyl (E)-3-[(4R,5S)-5-[(6R)-6-[tert-butyl(dimethyl)silyl]oxyheptyl]-2,2-dimethyl-1,3-dioxolan-4-yl]prop-2-enoate
CID 44516071
(1S,2R,6R,8S,9S)-9-[tert-butyl(dimethyl)silyl]oxy-4,4-dimethylspiro[3,5,7,11-tetraoxatricyclo[6.3.0.02,6]undecane-10,5'-furan]-2'-one
CID 135012030
(1S,2R,6R,8S,9R)-9-[tert-butyl(dimethyl)silyl]oxy-4,4-dimethylspiro[3,5,7,11-tetraoxatricyclo[6.3.0.02,6]undecane-10,5'-furan]-2'-one
CID 135012031
(2R)-2-[(3aS,4S,6R,6aS)-4-methoxy-2,2-dimethyl-3a,4,6,6a-tetrahydrofuro[3,4-d][1,3]dioxol-6-yl]-3-[[tert-butyl(dimethyl)silyl]oxymethyl]-2H-furan-5-one
CID 135012466
(2S)-2-[(3aS,4S,6R,6aS)-4-methoxy-2,2-dimethyl-3a,4,6,6a-tetrahydrofuro[3,4-d][1,3]dioxol-6-yl]-3-[[tert-butyl(dimethyl)silyl]oxymethyl]-2H-furan-5-one
CID 135012467
ethyl (E)-3-[(4S,5R)-5-[(6S)-6-[tert-butyl(dimethyl)silyl]oxyheptyl]-2,2-dimethyl-1,3-dioxolan-4-yl]prop-2-enoate
CID 135021497
ethyl (Z)-3-[(4S,5R)-5-[(6S)-6-[tert-butyl(dimethyl)silyl]oxyheptyl]-2,2-dimethyl-1,3-dioxolan-4-yl]prop-2-enoate
CID 135024773
methyl (E)-3-[(3aR,4S,6R,6aS)-6-[[tert-butyl(dimethyl)silyl]oxymethyl]-2,2-dimethyl-3a,4,6,6a-tetrahydrofuro[3,4-d][1,3]dioxol-4-yl]prop-2-enoate
CID 135067287
ethyl (E)-3-[(4R,5S)-5-[(2R,8R)-8-[tert-butyl(dimethyl)silyl]oxy-2-(methoxymethoxy)tridecyl]-2,2-dimethyl-1,3-dioxolan-4-yl]prop-2-enoate
CID 138967741
(2R)-2-[(2R,5R)-5-[(1R)-1,2-bis[[tert-butyl(dimethyl)silyl]oxy]ethyl]oxolan-2-yl]-2H-furan-5-one
CID 10503382
(2S)-2-[(2R,5R)-5-[(2S,5S)-5-[(1S)-1-[tert-butyl(dimethyl)silyl]oxyundecyl]oxolan-2-yl]oxolan-2-yl]-2H-furan-5-one
CID 10553694

Frequently Asked Questions

What is the IUPAC name of methyl (Z)-3-[(2R,3S,3aS,5R,6aR)-3-[tert-butyl(dimethyl)silyl]oxy-2-methyl-5-triethylsilyloxy-3,3a,6,6a-tetrahydro-2H-furo[3,2-b]furan-5-yl]prop-2-enoate?
The IUPAC name of methyl (Z)-3-[(2R,3S,3aS,5R,6aR)-3-[tert-butyl(dimethyl)silyl]oxy-2-methyl-5-triethylsilyloxy-3,3a,6,6a-tetrahydro-2H-furo[3,2-b]furan-5-yl]prop-2-enoate (CID 71733142) is methyl (Z)-3-[(2R,3S,3aS,5R,6aR)-3-[tert-butyl(dimethyl)silyl]oxy-2-methyl-5-triethylsilyloxy-3,3a,6,6a-tetrahydro-2H-furo[3,2-b]furan-5-yl]prop-2-enoate.
What is the SMILES notation for methyl (Z)-3-[(2R,3S,3aS,5R,6aR)-3-[tert-butyl(dimethyl)silyl]oxy-2-methyl-5-triethylsilyloxy-3,3a,6,6a-tetrahydro-2H-furo[3,2-b]furan-5-yl]prop-2-enoate?
The canonical SMILES for methyl (Z)-3-[(2R,3S,3aS,5R,6aR)-3-[tert-butyl(dimethyl)silyl]oxy-2-methyl-5-triethylsilyloxy-3,3a,6,6a-tetrahydro-2H-furo[3,2-b]furan-5-yl]prop-2-enoate is CC[Si](CC)(CC)O[C@@]1(/C=C\C(=O)OC)C[C@H]2O[C@H](C)[C@H](O[Si](C)(C)C(C)(C)C)[C@H]2O1.
What is the InChIKey of methyl (Z)-3-[(2R,3S,3aS,5R,6aR)-3-[tert-butyl(dimethyl)silyl]oxy-2-methyl-5-triethylsilyloxy-3,3a,6,6a-tetrahydro-2H-furo[3,2-b]furan-5-yl]prop-2-enoate?
The InChIKey is BIXIFQWILSVFGV-CLEFFPSRSA-N. The full InChI is InChI=1S/C23H44O6Si2/c1-11-31(12-2,13-3)29-23(15-14-19(24)25-8)16-18-21(27-23)20(17(4)26-18)28-30(9,10)22(5,6)7/h14-15,17-18,20-21H,11-13,16H2,1-10H3/b15-14-/t17-,18-,20+,21+,23+/m1/s1.
What are the key properties of methyl (Z)-3-[(2R,3S,3aS,5R,6aR)-3-[tert-butyl(dimethyl)silyl]oxy-2-methyl-5-triethylsilyloxy-3,3a,6,6a-tetrahydro-2H-furo[3,2-b]furan-5-yl]prop-2-enoate?
methyl (Z)-3-[(2R,3S,3aS,5R,6aR)-3-[tert-butyl(dimethyl)silyl]oxy-2-methyl-5-triethylsilyloxy-3,3a,6,6a-tetrahydro-2H-furo[3,2-b]furan-5-yl]prop-2-enoate has a molecular weight of 472.77 g/mol, XLogP of 5.40, 9 rotatable bonds, 0 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for methyl (Z)-3-[(2R,3S,3aS,5R,6aR)-3-[tert-butyl(dimethyl)silyl]oxy-2-methyl-5-triethylsilyloxy-3,3a,6,6a-tetrahydro-2H-furo[3,2-b]furan-5-yl]prop-2-enoate is sourced from PubChem (CID 71733142), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).