methyl 2-[(4R)-5-[2,3-bis[[tert-butyl(dimethyl)silyl]oxy]propyl]-4-methoxy-2-[[4-methyl-3-methylidene-6-[2-[(2S)-3-methylidene-5-(3-triethylsilyloxypropyl)oxolan-2-yl]ethyl]oxan-2-yl]methyl]oxolan-3-yl]acetate

C47H90O9Si3 — CID 173804598

IUPACmethyl 2-[(4R)-5-[2,3-bis[[tert-butyl(dimethyl)silyl]oxy]propyl]-4-methoxy-2-[[4-methyl-3-methylidene-6-[2-[(2S)-3-methylidene-5-(3-triethylsilyloxypropyl)oxolan-2-yl]ethyl]oxan-2-yl]methyl]oxolan-3-yl]acetate
SMILESCC[Si](CC)(CC)OCCCC1CC(=C)[C@@H](O1)CCC2CC(C(=C)C(O2)CC3C([C@H](C(O3)CC(CO[Si](C)(C)C(C)(C)C)O[Si](C)(C)C(C)(C)C)OC)CC(=O)OC)C
InChIInChI=1S/C47H90O9Si3/c1-19-59(20-2,21-3)51-26-22-23-36-28-34(5)40(53-36)25-24-37-27-33(4)35(6)41(54-37)31-42-39(30-44(48)49-13)45(50-14)43(55-42)29-38(56-58(17,18)47(10,11)12)32-52-57(15,16)46(7,8)9/h33,36-43,45H,5-6,19-32H2,1-4,7-18H3/t33?,36?,37?,38?,39?,40-,41?,42?,43?,45+/m0/s1
InChIKeyCSUHNPAMAWNQFD-MCSXFSSISA-N
MW883.50 g/mol
LogP—
Rot. Bonds26

About methyl 2-[(4R)-5-[2,3-bis[[tert-butyl(dimethyl)silyl]oxy]propyl]-4-methoxy-2-[[4-methyl-3-methylidene-6-[2-[(2S)-3-methylidene-5-(3-triethylsilyloxypropyl)oxolan-2-yl]ethyl]oxan-2-yl]methyl]oxolan-3-yl]acetate

methyl 2-[(4R)-5-[2,3-bis[[tert-butyl(dimethyl)silyl]oxy]propyl]-4-methoxy-2-[[4-methyl-3-methylidene-6-[2-[(2S)-3-methylidene-5-(3-triethylsilyloxypropyl)oxolan-2-yl]ethyl]oxan-2-yl]methyl]oxolan-3-yl]acetate (PubChem CID 173804598) has the molecular formula C47H90O9Si3 and a molecular weight of 883.50 g/mol. Its IUPAC name is methyl 2-[(4R)-5-[2,3-bis[[tert-butyl(dimethyl)silyl]oxy]propyl]-4-methoxy-2-[[4-methyl-3-methylidene-6-[2-[(2S)-3-methylidene-5-(3-triethylsilyloxypropyl)oxolan-2-yl]ethyl]oxan-2-yl]methyl]oxolan-3-yl]acetate.

Molecular Properties

Compound Namemethyl 2-[(4R)-5-[2,3-bis[[tert-butyl(dimethyl)silyl]oxy]propyl]-4-methoxy-2-[[4-methyl-3-methylidene-6-[2-[(2S)-3-methylidene-5-(3-triethylsilyloxypropyl)oxolan-2-yl]ethyl]oxan-2-yl]methyl]oxolan-3-yl]acetate
PubChem CID173804598
Molecular FormulaC47H90O9Si3
Molecular Weight883.50 g/mol
Exact Mass882.59
IUPAC Namemethyl 2-[(4R)-5-[2,3-bis[[tert-butyl(dimethyl)silyl]oxy]propyl]-4-methoxy-2-[[4-methyl-3-methylidene-6-[2-[(2S)-3-methylidene-5-(3-triethylsilyloxypropyl)oxolan-2-yl]ethyl]oxan-2-yl]methyl]oxolan-3-yl]acetate
SMILESCC[Si](CC)(CC)OCCCC1CC(=C)[C@@H](O1)CCC2CC(C(=C)C(O2)CC3C([C@H](C(O3)CC(CO[Si](C)(C)C(C)(C)C)O[Si](C)(C)C(C)(C)C)OC)CC(=O)OC)C
InChIInChI=1S/C47H90O9Si3/c1-19-59(20-2,21-3)51-26-22-23-36-28-34(5)40(53-36)25-24-37-27-33(4)35(6)41(54-37)31-42-39(30-44(48)49-13)45(50-14)43(55-42)29-38(56-58(17,18)47(10,11)12)32-52-57(15,16)46(7,8)9/h33,36-43,45H,5-6,19-32H2,1-4,7-18H3/t33?,36?,37?,38?,39?,40-,41?,42?,43?,45+/m0/s1
InChIKeyCSUHNPAMAWNQFD-MCSXFSSISA-N
XLogP—
TPSA90.90 Ų
H-Bond Donors
H-Bond Acceptors9
Rotatable Bonds26
Heavy Atoms59
Complexity1330

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500883.50
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 109

Computed Properties (RDKit)

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

Analyze methyl 2-[(4R)-5-[2,3-bis[[tert-butyl(dimethyl)silyl]oxy]propyl]-4-methoxy-2-[[4-methyl-3-methylidene-6-[2-[(2S)-3-methylidene-5-(3-triethylsilyloxypropyl)oxolan-2-yl]ethyl]oxan-2-yl]methyl]oxolan-3-yl]acetate with MolForge

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Frequently Asked Questions

What is the IUPAC name of methyl 2-[(4R)-5-[2,3-bis[[tert-butyl(dimethyl)silyl]oxy]propyl]-4-methoxy-2-[[4-methyl-3-methylidene-6-[2-[(2S)-3-methylidene-5-(3-triethylsilyloxypropyl)oxolan-2-yl]ethyl]oxan-2-yl]methyl]oxolan-3-yl]acetate?
The IUPAC name of methyl 2-[(4R)-5-[2,3-bis[[tert-butyl(dimethyl)silyl]oxy]propyl]-4-methoxy-2-[[4-methyl-3-methylidene-6-[2-[(2S)-3-methylidene-5-(3-triethylsilyloxypropyl)oxolan-2-yl]ethyl]oxan-2-yl]methyl]oxolan-3-yl]acetate (CID 173804598) is methyl 2-[(4R)-5-[2,3-bis[[tert-butyl(dimethyl)silyl]oxy]propyl]-4-methoxy-2-[[4-methyl-3-methylidene-6-[2-[(2S)-3-methylidene-5-(3-triethylsilyloxypropyl)oxolan-2-yl]ethyl]oxan-2-yl]methyl]oxolan-3-yl]acetate.
What is the SMILES notation for methyl 2-[(4R)-5-[2,3-bis[[tert-butyl(dimethyl)silyl]oxy]propyl]-4-methoxy-2-[[4-methyl-3-methylidene-6-[2-[(2S)-3-methylidene-5-(3-triethylsilyloxypropyl)oxolan-2-yl]ethyl]oxan-2-yl]methyl]oxolan-3-yl]acetate?
The canonical SMILES for methyl 2-[(4R)-5-[2,3-bis[[tert-butyl(dimethyl)silyl]oxy]propyl]-4-methoxy-2-[[4-methyl-3-methylidene-6-[2-[(2S)-3-methylidene-5-(3-triethylsilyloxypropyl)oxolan-2-yl]ethyl]oxan-2-yl]methyl]oxolan-3-yl]acetate is CC[Si](CC)(CC)OCCCC1CC(=C)[C@@H](O1)CCC2CC(C(=C)C(O2)CC3C([C@H](C(O3)CC(CO[Si](C)(C)C(C)(C)C)O[Si](C)(C)C(C)(C)C)OC)CC(=O)OC)C.
What is the InChIKey of methyl 2-[(4R)-5-[2,3-bis[[tert-butyl(dimethyl)silyl]oxy]propyl]-4-methoxy-2-[[4-methyl-3-methylidene-6-[2-[(2S)-3-methylidene-5-(3-triethylsilyloxypropyl)oxolan-2-yl]ethyl]oxan-2-yl]methyl]oxolan-3-yl]acetate?
The InChIKey is CSUHNPAMAWNQFD-MCSXFSSISA-N. The full InChI is InChI=1S/C47H90O9Si3/c1-19-59(20-2,21-3)51-26-22-23-36-28-34(5)40(53-36)25-24-37-27-33(4)35(6)41(54-37)31-42-39(30-44(48)49-13)45(50-14)43(55-42)29-38(56-58(17,18)47(10,11)12)32-52-57(15,16)46(7,8)9/h33,36-43,45H,5-6,19-32H2,1-4,7-18H3/t33?,36?,37?,38?,39?,40-,41?,42?,43?,45+/m0/s1.
What are the key properties of methyl 2-[(4R)-5-[2,3-bis[[tert-butyl(dimethyl)silyl]oxy]propyl]-4-methoxy-2-[[4-methyl-3-methylidene-6-[2-[(2S)-3-methylidene-5-(3-triethylsilyloxypropyl)oxolan-2-yl]ethyl]oxan-2-yl]methyl]oxolan-3-yl]acetate?
methyl 2-[(4R)-5-[2,3-bis[[tert-butyl(dimethyl)silyl]oxy]propyl]-4-methoxy-2-[[4-methyl-3-methylidene-6-[2-[(2S)-3-methylidene-5-(3-triethylsilyloxypropyl)oxolan-2-yl]ethyl]oxan-2-yl]methyl]oxolan-3-yl]acetate has a molecular weight of 883.50 g/mol, XLogP of not available, 26 rotatable bonds, 0 hydrogen bond donors, and 9 hydrogen bond acceptors.
Where does this data come from?
All data for methyl 2-[(4R)-5-[2,3-bis[[tert-butyl(dimethyl)silyl]oxy]propyl]-4-methoxy-2-[[4-methyl-3-methylidene-6-[2-[(2S)-3-methylidene-5-(3-triethylsilyloxypropyl)oxolan-2-yl]ethyl]oxan-2-yl]methyl]oxolan-3-yl]acetate is sourced from PubChem (CID 173804598), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).