methyl 3-[tert-butyl(dimethyl)silyl]oxy-4-[5-[1-hydroxy-4-[5-[1-(methoxymethoxy)propyl]-2,2,5-trimethyl-1,3-dioxolan-4-yl]-2-methyl-3-oxopentyl]-2,2,5-trimethyl-1,3-dioxolan-4-yl]-2-methylpentanoate

C36H68O11Si — CID 163053496

IUPACmethyl 3-[tert-butyl(dimethyl)silyl]oxy-4-[5-[1-hydroxy-4-[5-[1-(methoxymethoxy)propyl]-2,2,5-trimethyl-1,3-dioxolan-4-yl]-2-methyl-3-oxopentyl]-2,2,5-trimethyl-1,3-dioxolan-4-yl]-2-methylpentanoate
SMILESCCC(OCOC)C1(C)OC(C)(C)OC1C(C)C(=O)C(C)C(O)C1(C)OC(C)(C)OC1C(C)C(O[Si](C)(C)C(C)(C)C)C(C)C(=O)OC
InChIInChI=1S/C36H68O11Si/c1-19-25(42-20-40-15)35(13)29(43-33(9,10)46-35)22(3)26(37)21(2)28(38)36(14)30(44-34(11,12)47-36)23(4)27(24(5)31(39)41-16)45-48(17,18)32(6,7)8/h21-25,27-30,38H,19-20H2,1-18H3
InChIKeyFKZBLCZOLUNILC-UHFFFAOYSA-N
MW705.01 g/mol
LogP6.24
Rot. Bonds16

About methyl 3-[tert-butyl(dimethyl)silyl]oxy-4-[5-[1-hydroxy-4-[5-[1-(methoxymethoxy)propyl]-2,2,5-trimethyl-1,3-dioxolan-4-yl]-2-methyl-3-oxopentyl]-2,2,5-trimethyl-1,3-dioxolan-4-yl]-2-methylpentanoate

methyl 3-[tert-butyl(dimethyl)silyl]oxy-4-[5-[1-hydroxy-4-[5-[1-(methoxymethoxy)propyl]-2,2,5-trimethyl-1,3-dioxolan-4-yl]-2-methyl-3-oxopentyl]-2,2,5-trimethyl-1,3-dioxolan-4-yl]-2-methylpentanoate (PubChem CID 163053496) has the molecular formula C36H68O11Si and a molecular weight of 705.01 g/mol. Its IUPAC name is methyl 3-[tert-butyl(dimethyl)silyl]oxy-4-[5-[1-hydroxy-4-[5-[1-(methoxymethoxy)propyl]-2,2,5-trimethyl-1,3-dioxolan-4-yl]-2-methyl-3-oxopentyl]-2,2,5-trimethyl-1,3-dioxolan-4-yl]-2-methylpentanoate.

Molecular Properties

Compound Namemethyl 3-[tert-butyl(dimethyl)silyl]oxy-4-[5-[1-hydroxy-4-[5-[1-(methoxymethoxy)propyl]-2,2,5-trimethyl-1,3-dioxolan-4-yl]-2-methyl-3-oxopentyl]-2,2,5-trimethyl-1,3-dioxolan-4-yl]-2-methylpentanoate
PubChem CID163053496
Molecular FormulaC36H68O11Si
Molecular Weight705.01 g/mol
Exact Mass704.45
IUPAC Namemethyl 3-[tert-butyl(dimethyl)silyl]oxy-4-[5-[1-hydroxy-4-[5-[1-(methoxymethoxy)propyl]-2,2,5-trimethyl-1,3-dioxolan-4-yl]-2-methyl-3-oxopentyl]-2,2,5-trimethyl-1,3-dioxolan-4-yl]-2-methylpentanoate
SMILESCCC(OCOC)C1(C)OC(C)(C)OC1C(C)C(=O)C(C)C(O)C1(C)OC(C)(C)OC1C(C)C(O[Si](C)(C)C(C)(C)C)C(C)C(=O)OC
InChIInChI=1S/C36H68O11Si/c1-19-25(42-20-40-15)35(13)29(43-33(9,10)46-35)22(3)26(37)21(2)28(38)36(14)30(44-34(11,12)47-36)23(4)27(24(5)31(39)41-16)45-48(17,18)32(6,7)8/h21-25,27-30,38H,19-20H2,1-18H3
InChIKeyFKZBLCZOLUNILC-UHFFFAOYSA-N
XLogP6.24
TPSA128.21 Ų
H-Bond Donors1
H-Bond Acceptors11
Rotatable Bonds16
Heavy Atoms48
Complexity—

Lipinski Rule of Five

3 violations

RuleValue
MW ≤ 500705.01
LogP ≤ 56.24
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 1011

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'heavy_metal', 'substructure': 'N/A'}, {'alert_name': 'het-C-het_not_in_ring', 'substructure': 'N/A'}

Analyze methyl 3-[tert-butyl(dimethyl)silyl]oxy-4-[5-[1-hydroxy-4-[5-[1-(methoxymethoxy)propyl]-2,2,5-trimethyl-1,3-dioxolan-4-yl]-2-methyl-3-oxopentyl]-2,2,5-trimethyl-1,3-dioxolan-4-yl]-2-methylpentanoate with MolForge

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Related Compounds

methyl 3-[tert-butyl(dimethyl)silyl]oxy-4-[5-[4-[5-[1-[tert-butyl(dimethyl)silyl]oxypropyl]-2,2,5-trimethyl-1,3-dioxolan-4-yl]-2-methyl-3-oxopent-1-enyl]-2,2,5-trimethyl-1,3-dioxolan-4-yl]-2-methylpentanoate
CID 163087289
methyl (2R,3S,4R)-3-[tert-butyl(dimethyl)silyl]oxy-4-[(4R,5R)-5-[(E,4R)-4-[(4R,5S)-5-[(1R)-1-[tert-butyl(dimethyl)silyl]oxypropyl]-2,2,5-trimethyl-1,3-dioxolan-4-yl]-2-methyl-3-oxopent-1-enyl]-2,2,5-trimethyl-1,3-dioxolan-4-yl]-2-methylpentanoate
CID 14105486
methyl (2R,3S,4S,6R)-3-[tert-butyl(dimethyl)silyl]oxy-9-[(4S,5R)-5-ethyl-2,2,4-trimethyl-1,3-dioxolan-4-yl]-2,4,6-trimethyl-7-oxononanoate
CID 23253343
methyl (2S,3S)-3-[tert-butyl(dimethyl)silyl]oxy-2-methylpentanoate
CID 14264897
methyl (2S,3S)-3-[tert-butyl(dimethyl)silyl]oxy-3-[(4R)-2,2-dimethyl-1,3-dioxolan-4-yl]-2-methylpropanoate
CID 11067559
(1S,2S,4S)-1-[(4S,5R)-5-ethyl-2,2,4-trimethyl-1,3-dioxolan-4-yl]-1-hydroxy-2,5,5-trimethyl-4-trimethylsilyloxyhexan-3-one
CID 134846360
2-[(4S,6S)-6-[(2S,3S,4S)-3-[tert-butyl(dimethyl)silyl]oxy-4-methylhex-5-en-2-yl]-2,2,5,5-tetramethyl-1,3-dioxan-4-yl]acetic acid
CID 25180725
3-[2-[5-[1-[tert-butyl(dimethyl)silyl]oxypropyl]-2,2,5-trimethyl-1,3-dioxolan-4-yl]propanoyl]-4-methyl-5-phenyl-1,3-oxazolidin-2-one
CID 163053916
methyl (2S,3R)-3-[tert-butyl(dimethyl)silyl]oxy-2-methylpent-4-enoate
CID 46918429
methyl (2R,3R)-3-[tert-butyl(dimethyl)silyl]oxy-2-methylhexanoate
CID 101115916
methyl (E)-5-[tert-butyl(dimethyl)silyl]oxy-2-ethylhex-3-enoate
CID 139263493
methyl (2R,3S)-2-amino-3-[tert-butyl(dimethyl)silyl]oxybutanoate
CID 10879449

Frequently Asked Questions

What is the IUPAC name of methyl 3-[tert-butyl(dimethyl)silyl]oxy-4-[5-[1-hydroxy-4-[5-[1-(methoxymethoxy)propyl]-2,2,5-trimethyl-1,3-dioxolan-4-yl]-2-methyl-3-oxopentyl]-2,2,5-trimethyl-1,3-dioxolan-4-yl]-2-methylpentanoate?
The IUPAC name of methyl 3-[tert-butyl(dimethyl)silyl]oxy-4-[5-[1-hydroxy-4-[5-[1-(methoxymethoxy)propyl]-2,2,5-trimethyl-1,3-dioxolan-4-yl]-2-methyl-3-oxopentyl]-2,2,5-trimethyl-1,3-dioxolan-4-yl]-2-methylpentanoate (CID 163053496) is methyl 3-[tert-butyl(dimethyl)silyl]oxy-4-[5-[1-hydroxy-4-[5-[1-(methoxymethoxy)propyl]-2,2,5-trimethyl-1,3-dioxolan-4-yl]-2-methyl-3-oxopentyl]-2,2,5-trimethyl-1,3-dioxolan-4-yl]-2-methylpentanoate.
What is the SMILES notation for methyl 3-[tert-butyl(dimethyl)silyl]oxy-4-[5-[1-hydroxy-4-[5-[1-(methoxymethoxy)propyl]-2,2,5-trimethyl-1,3-dioxolan-4-yl]-2-methyl-3-oxopentyl]-2,2,5-trimethyl-1,3-dioxolan-4-yl]-2-methylpentanoate?
The canonical SMILES for methyl 3-[tert-butyl(dimethyl)silyl]oxy-4-[5-[1-hydroxy-4-[5-[1-(methoxymethoxy)propyl]-2,2,5-trimethyl-1,3-dioxolan-4-yl]-2-methyl-3-oxopentyl]-2,2,5-trimethyl-1,3-dioxolan-4-yl]-2-methylpentanoate is CCC(OCOC)C1(C)OC(C)(C)OC1C(C)C(=O)C(C)C(O)C1(C)OC(C)(C)OC1C(C)C(O[Si](C)(C)C(C)(C)C)C(C)C(=O)OC.
What is the InChIKey of methyl 3-[tert-butyl(dimethyl)silyl]oxy-4-[5-[1-hydroxy-4-[5-[1-(methoxymethoxy)propyl]-2,2,5-trimethyl-1,3-dioxolan-4-yl]-2-methyl-3-oxopentyl]-2,2,5-trimethyl-1,3-dioxolan-4-yl]-2-methylpentanoate?
The InChIKey is FKZBLCZOLUNILC-UHFFFAOYSA-N. The full InChI is InChI=1S/C36H68O11Si/c1-19-25(42-20-40-15)35(13)29(43-33(9,10)46-35)22(3)26(37)21(2)28(38)36(14)30(44-34(11,12)47-36)23(4)27(24(5)31(39)41-16)45-48(17,18)32(6,7)8/h21-25,27-30,38H,19-20H2,1-18H3.
What are the key properties of methyl 3-[tert-butyl(dimethyl)silyl]oxy-4-[5-[1-hydroxy-4-[5-[1-(methoxymethoxy)propyl]-2,2,5-trimethyl-1,3-dioxolan-4-yl]-2-methyl-3-oxopentyl]-2,2,5-trimethyl-1,3-dioxolan-4-yl]-2-methylpentanoate?
methyl 3-[tert-butyl(dimethyl)silyl]oxy-4-[5-[1-hydroxy-4-[5-[1-(methoxymethoxy)propyl]-2,2,5-trimethyl-1,3-dioxolan-4-yl]-2-methyl-3-oxopentyl]-2,2,5-trimethyl-1,3-dioxolan-4-yl]-2-methylpentanoate has a molecular weight of 705.01 g/mol, XLogP of 6.24, 16 rotatable bonds, 1 hydrogen bond donors, and 11 hydrogen bond acceptors.
Where does this data come from?
All data for methyl 3-[tert-butyl(dimethyl)silyl]oxy-4-[5-[1-hydroxy-4-[5-[1-(methoxymethoxy)propyl]-2,2,5-trimethyl-1,3-dioxolan-4-yl]-2-methyl-3-oxopentyl]-2,2,5-trimethyl-1,3-dioxolan-4-yl]-2-methylpentanoate is sourced from PubChem (CID 163053496), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).