[(1R,2S)-1-[(4S,5S)-5-[(E,4S)-4,5-bis[[tert-butyl(dimethyl)silyl]oxy]-3-methylidenepent-1-enyl]-2-methoxy-1,3-dioxolan-4-yl]-3-iodo-2-methylpropoxy]-tert-butyl-dimethylsilane

C32H65IO6Si3 — CID 11592956

IUPAC[(1R,2S)-1-[(4S,5S)-5-[(E,4S)-4,5-bis[[tert-butyl(dimethyl)silyl]oxy]-3-methylidenepent-1-enyl]-2-methoxy-1,3-dioxolan-4-yl]-3-iodo-2-methylpropoxy]-tert-butyl-dimethylsilane
SMILESC=C(/C=C/[C@@H]1OC(OC)O[C@@H]1[C@H](O[Si](C)(C)C(C)(C)C)[C@H](C)CI)[C@@H](CO[Si](C)(C)C(C)(C)C)O[Si](C)(C)C(C)(C)C
InChIInChI=1S/C32H65IO6Si3/c1-23(26(38-41(15,16)31(6,7)8)22-35-40(13,14)30(3,4)5)19-20-25-28(37-29(34-12)36-25)27(24(2)21-33)39-42(17,18)32(9,10)11/h19-20,24-29H,1,21-22H2,2-18H3/b20-19+/t24-,25+,26-,27-,28+,29?/m1/s1
InChIKeyXBRCRNUWDDOUIG-MEGDKGIPSA-N
MW757.03 g/mol
LogP9.69
Rot. Bonds14

About [(1R,2S)-1-[(4S,5S)-5-[(E,4S)-4,5-bis[[tert-butyl(dimethyl)silyl]oxy]-3-methylidenepent-1-enyl]-2-methoxy-1,3-dioxolan-4-yl]-3-iodo-2-methylpropoxy]-tert-butyl-dimethylsilane

[(1R,2S)-1-[(4S,5S)-5-[(E,4S)-4,5-bis[[tert-butyl(dimethyl)silyl]oxy]-3-methylidenepent-1-enyl]-2-methoxy-1,3-dioxolan-4-yl]-3-iodo-2-methylpropoxy]-tert-butyl-dimethylsilane (PubChem CID 11592956) has the molecular formula C32H65IO6Si3 and a molecular weight of 757.03 g/mol. Its IUPAC name is [(1R,2S)-1-[(4S,5S)-5-[(E,4S)-4,5-bis[[tert-butyl(dimethyl)silyl]oxy]-3-methylidenepent-1-enyl]-2-methoxy-1,3-dioxolan-4-yl]-3-iodo-2-methylpropoxy]-tert-butyl-dimethylsilane.

Molecular Properties

Compound Name[(1R,2S)-1-[(4S,5S)-5-[(E,4S)-4,5-bis[[tert-butyl(dimethyl)silyl]oxy]-3-methylidenepent-1-enyl]-2-methoxy-1,3-dioxolan-4-yl]-3-iodo-2-methylpropoxy]-tert-butyl-dimethylsilane
PubChem CID11592956
Molecular FormulaC32H65IO6Si3
Molecular Weight757.03 g/mol
Exact Mass756.31
IUPAC Name[(1R,2S)-1-[(4S,5S)-5-[(E,4S)-4,5-bis[[tert-butyl(dimethyl)silyl]oxy]-3-methylidenepent-1-enyl]-2-methoxy-1,3-dioxolan-4-yl]-3-iodo-2-methylpropoxy]-tert-butyl-dimethylsilane
SMILESC=C(/C=C/[C@@H]1OC(OC)O[C@@H]1[C@H](O[Si](C)(C)C(C)(C)C)[C@H](C)CI)[C@@H](CO[Si](C)(C)C(C)(C)C)O[Si](C)(C)C(C)(C)C
InChIInChI=1S/C32H65IO6Si3/c1-23(26(38-41(15,16)31(6,7)8)22-35-40(13,14)30(3,4)5)19-20-25-28(37-29(34-12)36-25)27(24(2)21-33)39-42(17,18)32(9,10)11/h19-20,24-29H,1,21-22H2,2-18H3/b20-19+/t24-,25+,26-,27-,28+,29?/m1/s1
InChIKeyXBRCRNUWDDOUIG-MEGDKGIPSA-N
XLogP9.69
TPSA55.38 Ų
H-Bond Donors
H-Bond Acceptors6
Rotatable Bonds14
Heavy Atoms42
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500757.03
LogP ≤ 59.69
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 106

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'alkyl_halide', 'substructure': 'N/A'}, {'alert_name': 'heavy_metal', 'substructure': 'N/A'}, {'alert_name': 'iodine', 'substructure': 'N/A'}, {'alert_name': 'polyene', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of [(1R,2S)-1-[(4S,5S)-5-[(E,4S)-4,5-bis[[tert-butyl(dimethyl)silyl]oxy]-3-methylidenepent-1-enyl]-2-methoxy-1,3-dioxolan-4-yl]-3-iodo-2-methylpropoxy]-tert-butyl-dimethylsilane?
The IUPAC name of [(1R,2S)-1-[(4S,5S)-5-[(E,4S)-4,5-bis[[tert-butyl(dimethyl)silyl]oxy]-3-methylidenepent-1-enyl]-2-methoxy-1,3-dioxolan-4-yl]-3-iodo-2-methylpropoxy]-tert-butyl-dimethylsilane (CID 11592956) is [(1R,2S)-1-[(4S,5S)-5-[(E,4S)-4,5-bis[[tert-butyl(dimethyl)silyl]oxy]-3-methylidenepent-1-enyl]-2-methoxy-1,3-dioxolan-4-yl]-3-iodo-2-methylpropoxy]-tert-butyl-dimethylsilane.
What is the SMILES notation for [(1R,2S)-1-[(4S,5S)-5-[(E,4S)-4,5-bis[[tert-butyl(dimethyl)silyl]oxy]-3-methylidenepent-1-enyl]-2-methoxy-1,3-dioxolan-4-yl]-3-iodo-2-methylpropoxy]-tert-butyl-dimethylsilane?
The canonical SMILES for [(1R,2S)-1-[(4S,5S)-5-[(E,4S)-4,5-bis[[tert-butyl(dimethyl)silyl]oxy]-3-methylidenepent-1-enyl]-2-methoxy-1,3-dioxolan-4-yl]-3-iodo-2-methylpropoxy]-tert-butyl-dimethylsilane is C=C(/C=C/[C@@H]1OC(OC)O[C@@H]1[C@H](O[Si](C)(C)C(C)(C)C)[C@H](C)CI)[C@@H](CO[Si](C)(C)C(C)(C)C)O[Si](C)(C)C(C)(C)C.
What is the InChIKey of [(1R,2S)-1-[(4S,5S)-5-[(E,4S)-4,5-bis[[tert-butyl(dimethyl)silyl]oxy]-3-methylidenepent-1-enyl]-2-methoxy-1,3-dioxolan-4-yl]-3-iodo-2-methylpropoxy]-tert-butyl-dimethylsilane?
The InChIKey is XBRCRNUWDDOUIG-MEGDKGIPSA-N. The full InChI is InChI=1S/C32H65IO6Si3/c1-23(26(38-41(15,16)31(6,7)8)22-35-40(13,14)30(3,4)5)19-20-25-28(37-29(34-12)36-25)27(24(2)21-33)39-42(17,18)32(9,10)11/h19-20,24-29H,1,21-22H2,2-18H3/b20-19+/t24-,25+,26-,27-,28+,29?/m1/s1.
What are the key properties of [(1R,2S)-1-[(4S,5S)-5-[(E,4S)-4,5-bis[[tert-butyl(dimethyl)silyl]oxy]-3-methylidenepent-1-enyl]-2-methoxy-1,3-dioxolan-4-yl]-3-iodo-2-methylpropoxy]-tert-butyl-dimethylsilane?
[(1R,2S)-1-[(4S,5S)-5-[(E,4S)-4,5-bis[[tert-butyl(dimethyl)silyl]oxy]-3-methylidenepent-1-enyl]-2-methoxy-1,3-dioxolan-4-yl]-3-iodo-2-methylpropoxy]-tert-butyl-dimethylsilane has a molecular weight of 757.03 g/mol, XLogP of 9.69, 14 rotatable bonds, 0 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for [(1R,2S)-1-[(4S,5S)-5-[(E,4S)-4,5-bis[[tert-butyl(dimethyl)silyl]oxy]-3-methylidenepent-1-enyl]-2-methoxy-1,3-dioxolan-4-yl]-3-iodo-2-methylpropoxy]-tert-butyl-dimethylsilane is sourced from PubChem (CID 11592956), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).