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

C40H76O9Si2 — CID 163087289

IUPACmethyl 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
SMILESCCC(O[Si](C)(C)C(C)(C)C)C1(C)OC(C)(C)OC1C(C)C(=O)C(C)=CC1(C)OC(C)(C)OC1C(C)C(O[Si](C)(C)C(C)(C)C)C(C)C(=O)OC
InChIInChI=1S/C40H76O9Si2/c1-23-29(46-50(19,20)35(6,7)8)40(17)33(45-38(14,15)49-40)26(3)30(41)25(2)24-39(16)32(44-37(12,13)48-39)27(4)31(28(5)34(42)43-18)47-51(21,22)36(9,10)11/h24,26-29,31-33H,23H2,1-22H3
InChIKeyQMUKZXOQSABDPR-UHFFFAOYSA-N
MW757.21 g/mol
LogP9.59
Rot. Bonds14

About 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

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 (PubChem CID 163087289) has the molecular formula C40H76O9Si2 and a molecular weight of 757.21 g/mol. Its IUPAC name is 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.

Molecular Properties

Compound Namemethyl 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
PubChem CID163087289
Molecular FormulaC40H76O9Si2
Molecular Weight757.21 g/mol
Exact Mass756.50
IUPAC Namemethyl 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
SMILESCCC(O[Si](C)(C)C(C)(C)C)C1(C)OC(C)(C)OC1C(C)C(=O)C(C)=CC1(C)OC(C)(C)OC1C(C)C(O[Si](C)(C)C(C)(C)C)C(C)C(=O)OC
InChIInChI=1S/C40H76O9Si2/c1-23-29(46-50(19,20)35(6,7)8)40(17)33(45-38(14,15)49-40)26(3)30(41)25(2)24-39(16)32(44-37(12,13)48-39)27(4)31(28(5)34(42)43-18)47-51(21,22)36(9,10)11/h24,26-29,31-33H,23H2,1-22H3
InChIKeyQMUKZXOQSABDPR-UHFFFAOYSA-N
XLogP9.59
TPSA98.75 Ų
H-Bond Donors
H-Bond Acceptors9
Rotatable Bonds14
Heavy Atoms51
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500757.21
LogP ≤ 59.59
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 109

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'heavy_metal', 'substructure': 'N/A'}, {'alert_name': 'Michael_acceptor_1', 'substructure': 'N/A'}

Analyze 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 with MolForge

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Related Compounds

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 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
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 (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
methyl (E)-5-[tert-butyl(dimethyl)silyl]oxy-2-ethylhex-3-enoate
CID 139263493
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
methyl (2R,3R)-3-[tert-butyl(dimethyl)silyl]oxy-2-methylhexanoate
CID 101115916
methyl (2R,3S)-2-amino-3-[tert-butyl(dimethyl)silyl]oxybutanoate
CID 10879449
methyl (2S,3R)-3-[tert-butyl(dimethyl)silyl]oxy-2-methylpent-4-enoate
CID 46918429
methyl (E,5S,6R,7R,8S)-5-[tert-butyl(dimethyl)silyl]oxy-7-methoxy-2,6,8-trimethyldec-2-enoate
CID 102142959

Frequently Asked Questions

What is the IUPAC name of 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?
The IUPAC name of 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) is 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.
What is the SMILES notation for 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?
The canonical SMILES for 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 is CCC(O[Si](C)(C)C(C)(C)C)C1(C)OC(C)(C)OC1C(C)C(=O)C(C)=CC1(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-[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?
The InChIKey is QMUKZXOQSABDPR-UHFFFAOYSA-N. The full InChI is InChI=1S/C40H76O9Si2/c1-23-29(46-50(19,20)35(6,7)8)40(17)33(45-38(14,15)49-40)26(3)30(41)25(2)24-39(16)32(44-37(12,13)48-39)27(4)31(28(5)34(42)43-18)47-51(21,22)36(9,10)11/h24,26-29,31-33H,23H2,1-22H3.
What are the key properties of 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?
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 has a molecular weight of 757.21 g/mol, XLogP of 9.59, 14 rotatable bonds, 0 hydrogen bond donors, and 9 hydrogen bond acceptors.
Where does this data come from?
All data for 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 is sourced from PubChem (CID 163087289), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).