(2R)-2-[(1R,4S)-4-[tert-butyl(dimethyl)silyl]oxy-4-[(2S,5S)-5-[(1S)-1-[tert-butyl(dimethyl)silyl]oxytridecyl]oxolan-2-yl]-1-hydroxybutyl]-2H-furan-5-one

C37H72O6Si2 — CID 11433829

IUPAC(2R)-2-[(1R,4S)-4-[tert-butyl(dimethyl)silyl]oxy-4-[(2S,5S)-5-[(1S)-1-[tert-butyl(dimethyl)silyl]oxytridecyl]oxolan-2-yl]-1-hydroxybutyl]-2H-furan-5-one
SMILESCCCCCCCCCCCC[C@H](O[Si](C)(C)C(C)(C)C)[C@@H]1CC[C@@H]([C@H](CC[C@@H](O)[C@H]2C=CC(=O)O2)O[Si](C)(C)C(C)(C)C)O1
InChIInChI=1S/C37H72O6Si2/c1-12-13-14-15-16-17-18-19-20-21-22-33(42-44(8,9)36(2,3)4)31-25-26-32(40-31)34(43-45(10,11)37(5,6)7)24-23-29(38)30-27-28-35(39)41-30/h27-34,38H,12-26H2,1-11H3/t29-,30-,31+,32+,33+,34+/m1/s1
InChIKeySQGSHKSXJDYZLP-ZRBWWFCKSA-N
MW669.15 g/mol
LogP10.25
Rot. Bonds21

About (2R)-2-[(1R,4S)-4-[tert-butyl(dimethyl)silyl]oxy-4-[(2S,5S)-5-[(1S)-1-[tert-butyl(dimethyl)silyl]oxytridecyl]oxolan-2-yl]-1-hydroxybutyl]-2H-furan-5-one

(2R)-2-[(1R,4S)-4-[tert-butyl(dimethyl)silyl]oxy-4-[(2S,5S)-5-[(1S)-1-[tert-butyl(dimethyl)silyl]oxytridecyl]oxolan-2-yl]-1-hydroxybutyl]-2H-furan-5-one (PubChem CID 11433829) has the molecular formula C37H72O6Si2 and a molecular weight of 669.15 g/mol. Its IUPAC name is (2R)-2-[(1R,4S)-4-[tert-butyl(dimethyl)silyl]oxy-4-[(2S,5S)-5-[(1S)-1-[tert-butyl(dimethyl)silyl]oxytridecyl]oxolan-2-yl]-1-hydroxybutyl]-2H-furan-5-one.

Molecular Properties

Compound Name(2R)-2-[(1R,4S)-4-[tert-butyl(dimethyl)silyl]oxy-4-[(2S,5S)-5-[(1S)-1-[tert-butyl(dimethyl)silyl]oxytridecyl]oxolan-2-yl]-1-hydroxybutyl]-2H-furan-5-one
PubChem CID11433829
Molecular FormulaC37H72O6Si2
Molecular Weight669.15 g/mol
Exact Mass668.49
IUPAC Name(2R)-2-[(1R,4S)-4-[tert-butyl(dimethyl)silyl]oxy-4-[(2S,5S)-5-[(1S)-1-[tert-butyl(dimethyl)silyl]oxytridecyl]oxolan-2-yl]-1-hydroxybutyl]-2H-furan-5-one
SMILESCCCCCCCCCCCC[C@H](O[Si](C)(C)C(C)(C)C)[C@@H]1CC[C@@H]([C@H](CC[C@@H](O)[C@H]2C=CC(=O)O2)O[Si](C)(C)C(C)(C)C)O1
InChIInChI=1S/C37H72O6Si2/c1-12-13-14-15-16-17-18-19-20-21-22-33(42-44(8,9)36(2,3)4)31-25-26-32(40-31)34(43-45(10,11)37(5,6)7)24-23-29(38)30-27-28-35(39)41-30/h27-34,38H,12-26H2,1-11H3/t29-,30-,31+,32+,33+,34+/m1/s1
InChIKeySQGSHKSXJDYZLP-ZRBWWFCKSA-N
XLogP10.25
TPSA74.22 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds21
Heavy Atoms45
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500669.15
LogP ≤ 510.25
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

Computed Properties (RDKit)

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

Analyze (2R)-2-[(1R,4S)-4-[tert-butyl(dimethyl)silyl]oxy-4-[(2S,5S)-5-[(1S)-1-[tert-butyl(dimethyl)silyl]oxytridecyl]oxolan-2-yl]-1-hydroxybutyl]-2H-furan-5-one with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

2(5H)-Furanone, 3-((2R,13R)-2,13-dihydroxy-13-((2R,2'R,5R,5'R)-octahydro-5'-((1R)-1-hydroxyundecyl)(2,2'-bifuran)-5-yl)tridecyl)-5-methyl-, (5S)-
CID 114749
(2S)-4-[(2R,13R)-2-[tert-butyl(dimethyl)silyl]oxy-13-[(2R,5R)-5-[(1R)-1-[tert-butyl(dimethyl)silyl]oxytridecyl]oxolan-2-yl]-13-hydroxytridecyl]-2-methyl-2H-furan-5-one
CID 11400168
ethyl (E,4S,5S,11R)-11-[tert-butyl(dimethyl)silyl]oxy-4,5-dihydroxydodec-2-enoate
CID 25241739
(3E,5S,6S,12R)-6-[tert-butyl(dimethyl)silyl]oxy-5-hydroxy-12-methyl-1-oxacyclododec-3-en-2-one
CID 25241762
ethyl (E,4R,5R,11R)-11-[tert-butyl(dimethyl)silyl]oxy-4,5-dihydroxydodec-2-enoate
CID 42632122
methyl (E,5S,6S)-5-[tert-butyl(dimethyl)silyl]oxy-6-hydroxy-6-[(4S,5S)-5-hydroxy-2,2-dimethyl-1,3-dioxan-4-yl]hex-2-enoate
CID 46189514
(2S)-4-[(E,2R,13R)-2-[tert-butyl(dimethyl)silyl]oxy-13-[(2R,5R)-5-[(1R)-1-[tert-butyl(dimethyl)silyl]oxytridecyl]oxolan-2-yl]-13-hydroxytridec-4-en-6,11-diynyl]-2-methyl-2H-furan-5-one
CID 134864404
ethyl (E,6S,7S,8R)-6-[tert-butyl(dimethyl)silyl]oxy-7,8,9-trihydroxynon-2-enoate
CID 135015587
(3Z,5S,6R,12S)-6-[tert-butyl(dimethyl)silyl]oxy-5-hydroxy-12-methyl-1-oxacyclododec-3-en-2-one
CID 135021643
[(2R,3R,4S)-4-hydroxy-2-[(1R)-2-hydroxy-1-octadec-2-enoyloxyethyl]oxolan-3-yl] octadec-2-enoate
CID 67504758
2-[8-[[[[3-(2-hydroxyethoxy)propyl-methyl-trimethylsilyloxysilyl]oxy-methyl-(3-trimethylsilylpropyl)silyl]oxy-methyl-(3-triethoxysilylpropyl)silyl]oxy-methyl-trimethylsilyloxysilyl]octyl]-2H-furan-5-one
CID 159463801
methyl (E)-5-[(2S,3R,4S,6S)-3,5-bis[[tert-butyl(dimethyl)silyl]oxy]-6-[(E)-1-[tert-butyl(dimethyl)silyl]oxy-3-iodoprop-2-enyl]-4-hydroxyoxan-2-yl]pent-2-enoate
CID 173936059

Frequently Asked Questions

What is the IUPAC name of (2R)-2-[(1R,4S)-4-[tert-butyl(dimethyl)silyl]oxy-4-[(2S,5S)-5-[(1S)-1-[tert-butyl(dimethyl)silyl]oxytridecyl]oxolan-2-yl]-1-hydroxybutyl]-2H-furan-5-one?
The IUPAC name of (2R)-2-[(1R,4S)-4-[tert-butyl(dimethyl)silyl]oxy-4-[(2S,5S)-5-[(1S)-1-[tert-butyl(dimethyl)silyl]oxytridecyl]oxolan-2-yl]-1-hydroxybutyl]-2H-furan-5-one (CID 11433829) is (2R)-2-[(1R,4S)-4-[tert-butyl(dimethyl)silyl]oxy-4-[(2S,5S)-5-[(1S)-1-[tert-butyl(dimethyl)silyl]oxytridecyl]oxolan-2-yl]-1-hydroxybutyl]-2H-furan-5-one.
What is the SMILES notation for (2R)-2-[(1R,4S)-4-[tert-butyl(dimethyl)silyl]oxy-4-[(2S,5S)-5-[(1S)-1-[tert-butyl(dimethyl)silyl]oxytridecyl]oxolan-2-yl]-1-hydroxybutyl]-2H-furan-5-one?
The canonical SMILES for (2R)-2-[(1R,4S)-4-[tert-butyl(dimethyl)silyl]oxy-4-[(2S,5S)-5-[(1S)-1-[tert-butyl(dimethyl)silyl]oxytridecyl]oxolan-2-yl]-1-hydroxybutyl]-2H-furan-5-one is CCCCCCCCCCCC[C@H](O[Si](C)(C)C(C)(C)C)[C@@H]1CC[C@@H]([C@H](CC[C@@H](O)[C@H]2C=CC(=O)O2)O[Si](C)(C)C(C)(C)C)O1.
What is the InChIKey of (2R)-2-[(1R,4S)-4-[tert-butyl(dimethyl)silyl]oxy-4-[(2S,5S)-5-[(1S)-1-[tert-butyl(dimethyl)silyl]oxytridecyl]oxolan-2-yl]-1-hydroxybutyl]-2H-furan-5-one?
The InChIKey is SQGSHKSXJDYZLP-ZRBWWFCKSA-N. The full InChI is InChI=1S/C37H72O6Si2/c1-12-13-14-15-16-17-18-19-20-21-22-33(42-44(8,9)36(2,3)4)31-25-26-32(40-31)34(43-45(10,11)37(5,6)7)24-23-29(38)30-27-28-35(39)41-30/h27-34,38H,12-26H2,1-11H3/t29-,30-,31+,32+,33+,34+/m1/s1.
What are the key properties of (2R)-2-[(1R,4S)-4-[tert-butyl(dimethyl)silyl]oxy-4-[(2S,5S)-5-[(1S)-1-[tert-butyl(dimethyl)silyl]oxytridecyl]oxolan-2-yl]-1-hydroxybutyl]-2H-furan-5-one?
(2R)-2-[(1R,4S)-4-[tert-butyl(dimethyl)silyl]oxy-4-[(2S,5S)-5-[(1S)-1-[tert-butyl(dimethyl)silyl]oxytridecyl]oxolan-2-yl]-1-hydroxybutyl]-2H-furan-5-one has a molecular weight of 669.15 g/mol, XLogP of 10.25, 21 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for (2R)-2-[(1R,4S)-4-[tert-butyl(dimethyl)silyl]oxy-4-[(2S,5S)-5-[(1S)-1-[tert-butyl(dimethyl)silyl]oxytridecyl]oxolan-2-yl]-1-hydroxybutyl]-2H-furan-5-one is sourced from PubChem (CID 11433829), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).