methyl (E,5S,6S,7R)-5,7-bis[[tert-butyl(dimethyl)silyl]oxy]-6-methylnon-2-enoate

C23H48O4Si2 — CID 134866070

IUPACmethyl (E,5S,6S,7R)-5,7-bis[[tert-butyl(dimethyl)silyl]oxy]-6-methylnon-2-enoate
SMILESCC[C@@H](O[Si](C)(C)C(C)(C)C)[C@H](C)[C@H](C/C=C/C(=O)OC)O[Si](C)(C)C(C)(C)C
InChIInChI=1S/C23H48O4Si2/c1-14-19(26-28(10,11)22(3,4)5)18(2)20(16-15-17-21(24)25-9)27-29(12,13)23(6,7)8/h15,17-20H,14,16H2,1-13H3/b17-15+/t18-,19+,20-/m0/s1
InChIKeyRPWFJTIZXONGRA-VARDCOAOSA-N
MW444.81 g/mol
LogP6.93
Rot. Bonds10

About methyl (E,5S,6S,7R)-5,7-bis[[tert-butyl(dimethyl)silyl]oxy]-6-methylnon-2-enoate

methyl (E,5S,6S,7R)-5,7-bis[[tert-butyl(dimethyl)silyl]oxy]-6-methylnon-2-enoate (PubChem CID 134866070) has the molecular formula C23H48O4Si2 and a molecular weight of 444.81 g/mol. Its IUPAC name is methyl (E,5S,6S,7R)-5,7-bis[[tert-butyl(dimethyl)silyl]oxy]-6-methylnon-2-enoate.

Molecular Properties

Compound Namemethyl (E,5S,6S,7R)-5,7-bis[[tert-butyl(dimethyl)silyl]oxy]-6-methylnon-2-enoate
PubChem CID134866070
Molecular FormulaC23H48O4Si2
Molecular Weight444.81 g/mol
Exact Mass444.31
IUPAC Namemethyl (E,5S,6S,7R)-5,7-bis[[tert-butyl(dimethyl)silyl]oxy]-6-methylnon-2-enoate
SMILESCC[C@@H](O[Si](C)(C)C(C)(C)C)[C@H](C)[C@H](C/C=C/C(=O)OC)O[Si](C)(C)C(C)(C)C
InChIInChI=1S/C23H48O4Si2/c1-14-19(26-28(10,11)22(3,4)5)18(2)20(16-15-17-21(24)25-9)27-29(12,13)23(6,7)8/h15,17-20H,14,16H2,1-13H3/b17-15+/t18-,19+,20-/m0/s1
InChIKeyRPWFJTIZXONGRA-VARDCOAOSA-N
XLogP6.93
TPSA44.76 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds10
Heavy Atoms29
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500444.81
LogP ≤ 56.93
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

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

Analyze methyl (E,5S,6S,7R)-5,7-bis[[tert-butyl(dimethyl)silyl]oxy]-6-methylnon-2-enoate with MolForge

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Related Compounds

ethyl (2E,4S,5S,6R,8E,10E)-5-[tert-butyl(dimethyl)silyl]oxy-4,6-dimethyldodeca-2,8,10-trienoate
CID 71546755
methyl (2E,5R,6S,7S,8E)-7-[tert-butyl(dimethyl)silyl]oxy-5-hydroxy-2,6,8-trimethyldeca-2,8-dienoate
CID 11337693
methyl (2E,5S,6R,7S,8E)-7-[tert-butyl(dimethyl)silyl]oxy-5-hydroxy-2,6,8-trimethyldeca-2,8-dienoate
CID 11372151
methyl (2E,5S,6S,7R,8E)-7-[tert-butyl(dimethyl)silyl]oxy-5-hydroxy-2,6,8-trimethyldeca-2,8-dienoate
CID 173665169
methyl (2E,4E,8E,10E,14S)-7-[tert-butyl(dimethyl)silyl]oxy-8,14-dimethylhexadeca-2,4,8,10-tetraenoate
CID 10645825
(2S)-2-[(2R,3R)-3-tri(propan-2-yl)silyloxyhept-6-en-2-yl]-2,3-dihydropyran-6-one
CID 10926661
methyl (E,5S,6R)-5-[tert-butyl(dimethyl)silyl]oxy-8-hydroxy-6-methyloct-2-enoate
CID 10958075
(3Z,5E,8S,9E,11Z,14S,16R,17E,19E,24R)-8-[tert-butyl(dimethyl)silyl]oxy-24-methyl-14,16-bis(triethylsilyloxy)-1-oxacyclotetracosa-3,5,9,11,17,19-hexaen-2-one
CID 10974685
ethyl (E,5S,6R)-5,7-bis[[tert-butyl(dimethyl)silyl]oxy]-6-methylhept-2-enoate
CID 11080521
ethyl (E,5S,6R)-5-[tert-butyl(dimethyl)silyl]oxy-7-hydroxy-6-methylhept-2-enoate
CID 11141640
ethyl (E,4S,6R)-7-[tert-butyl(dimethyl)silyl]oxy-4,6-dimethylhept-2-enoate
CID 11197810
methyl (2E,5R,6S,7S,8E)-5,7-bis[[tert-butyl(dimethyl)silyl]oxy]-6-methyldeca-2,8-dienoate
CID 11259620

Frequently Asked Questions

What is the IUPAC name of methyl (E,5S,6S,7R)-5,7-bis[[tert-butyl(dimethyl)silyl]oxy]-6-methylnon-2-enoate?
The IUPAC name of methyl (E,5S,6S,7R)-5,7-bis[[tert-butyl(dimethyl)silyl]oxy]-6-methylnon-2-enoate (CID 134866070) is methyl (E,5S,6S,7R)-5,7-bis[[tert-butyl(dimethyl)silyl]oxy]-6-methylnon-2-enoate.
What is the SMILES notation for methyl (E,5S,6S,7R)-5,7-bis[[tert-butyl(dimethyl)silyl]oxy]-6-methylnon-2-enoate?
The canonical SMILES for methyl (E,5S,6S,7R)-5,7-bis[[tert-butyl(dimethyl)silyl]oxy]-6-methylnon-2-enoate is CC[C@@H](O[Si](C)(C)C(C)(C)C)[C@H](C)[C@H](C/C=C/C(=O)OC)O[Si](C)(C)C(C)(C)C.
What is the InChIKey of methyl (E,5S,6S,7R)-5,7-bis[[tert-butyl(dimethyl)silyl]oxy]-6-methylnon-2-enoate?
The InChIKey is RPWFJTIZXONGRA-VARDCOAOSA-N. The full InChI is InChI=1S/C23H48O4Si2/c1-14-19(26-28(10,11)22(3,4)5)18(2)20(16-15-17-21(24)25-9)27-29(12,13)23(6,7)8/h15,17-20H,14,16H2,1-13H3/b17-15+/t18-,19+,20-/m0/s1.
What are the key properties of methyl (E,5S,6S,7R)-5,7-bis[[tert-butyl(dimethyl)silyl]oxy]-6-methylnon-2-enoate?
methyl (E,5S,6S,7R)-5,7-bis[[tert-butyl(dimethyl)silyl]oxy]-6-methylnon-2-enoate has a molecular weight of 444.81 g/mol, XLogP of 6.93, 10 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for methyl (E,5S,6S,7R)-5,7-bis[[tert-butyl(dimethyl)silyl]oxy]-6-methylnon-2-enoate is sourced from PubChem (CID 134866070), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).