methyl (2Z,4E,6R,7S)-7-[tert-butyl(dimethyl)silyl]oxy-9-hydroxy-6-methylnona-2,4-dienoate

C17H32O4Si — CID 25022838

IUPACmethyl (2Z,4E,6R,7S)-7-[tert-butyl(dimethyl)silyl]oxy-9-hydroxy-6-methylnona-2,4-dienoate
SMILESCOC(=O)/C=C\C=C\[C@@H](C)[C@H](CCO)O[Si](C)(C)C(C)(C)C
InChIInChI=1S/C17H32O4Si/c1-14(10-8-9-11-16(19)20-5)15(12-13-18)21-22(6,7)17(2,3)4/h8-11,14-15,18H,12-13H2,1-7H3/b10-8+,11-9-/t14-,15+/m1/s1
InChIKeyYQXZVUVCWJELEX-FDRHJCNOSA-N
MW328.53 g/mol
LogP3.68
Rot. Bonds8

About methyl (2Z,4E,6R,7S)-7-[tert-butyl(dimethyl)silyl]oxy-9-hydroxy-6-methylnona-2,4-dienoate

methyl (2Z,4E,6R,7S)-7-[tert-butyl(dimethyl)silyl]oxy-9-hydroxy-6-methylnona-2,4-dienoate (PubChem CID 25022838) has the molecular formula C17H32O4Si and a molecular weight of 328.53 g/mol. Its IUPAC name is methyl (2Z,4E,6R,7S)-7-[tert-butyl(dimethyl)silyl]oxy-9-hydroxy-6-methylnona-2,4-dienoate.

Molecular Properties

Compound Namemethyl (2Z,4E,6R,7S)-7-[tert-butyl(dimethyl)silyl]oxy-9-hydroxy-6-methylnona-2,4-dienoate
PubChem CID25022838
Molecular FormulaC17H32O4Si
Molecular Weight328.53 g/mol
Exact Mass328.21
IUPAC Namemethyl (2Z,4E,6R,7S)-7-[tert-butyl(dimethyl)silyl]oxy-9-hydroxy-6-methylnona-2,4-dienoate
SMILESCOC(=O)/C=C\C=C\[C@@H](C)[C@H](CCO)O[Si](C)(C)C(C)(C)C
InChIInChI=1S/C17H32O4Si/c1-14(10-8-9-11-16(19)20-5)15(12-13-18)21-22(6,7)17(2,3)4/h8-11,14-15,18H,12-13H2,1-7H3/b10-8+,11-9-/t14-,15+/m1/s1
InChIKeyYQXZVUVCWJELEX-FDRHJCNOSA-N
XLogP3.68
TPSA55.76 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds8
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500328.53
LogP ≤ 53.68
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

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

Analyze methyl (2Z,4E,6R,7S)-7-[tert-butyl(dimethyl)silyl]oxy-9-hydroxy-6-methylnona-2,4-dienoate with MolForge

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Related Compounds

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22-But-1-enyl-14,16-dihydroxy-5,9,13-trimethyl-1-oxacyclodocosa-3,5,7,11,17,19-hexaen-2-one
CID 76166535
22-But-1-enyl-14-hydroxy-16-methoxy-5,9,13-trimethyl-1-oxacyclodocosa-3,5,7,11,17,19-hexaen-2-one
CID 76416377
Chaxalactin A
CID 139584310
(3E,5E,7E,9R,11E,13S,14R,16R,19E,22R)-22-[(E)-but-1-enyl]-14,16-dihydroxy-5,9,13-trimethyl-1-oxacyclodocosa-3,5,7,11,17,19-hexaen-2-one
CID 163186325
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 (E,5S,6R)-5-[tert-butyl(dimethyl)silyl]oxy-8-hydroxy-6-methyloct-2-enoate
CID 10958075
ethyl (E,5S,6R)-5,7-bis[[tert-butyl(dimethyl)silyl]oxy]-6-methylhept-2-enoate
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Frequently Asked Questions

What is the IUPAC name of methyl (2Z,4E,6R,7S)-7-[tert-butyl(dimethyl)silyl]oxy-9-hydroxy-6-methylnona-2,4-dienoate?
The IUPAC name of methyl (2Z,4E,6R,7S)-7-[tert-butyl(dimethyl)silyl]oxy-9-hydroxy-6-methylnona-2,4-dienoate (CID 25022838) is methyl (2Z,4E,6R,7S)-7-[tert-butyl(dimethyl)silyl]oxy-9-hydroxy-6-methylnona-2,4-dienoate.
What is the SMILES notation for methyl (2Z,4E,6R,7S)-7-[tert-butyl(dimethyl)silyl]oxy-9-hydroxy-6-methylnona-2,4-dienoate?
The canonical SMILES for methyl (2Z,4E,6R,7S)-7-[tert-butyl(dimethyl)silyl]oxy-9-hydroxy-6-methylnona-2,4-dienoate is COC(=O)/C=C\C=C\[C@@H](C)[C@H](CCO)O[Si](C)(C)C(C)(C)C.
What is the InChIKey of methyl (2Z,4E,6R,7S)-7-[tert-butyl(dimethyl)silyl]oxy-9-hydroxy-6-methylnona-2,4-dienoate?
The InChIKey is YQXZVUVCWJELEX-FDRHJCNOSA-N. The full InChI is InChI=1S/C17H32O4Si/c1-14(10-8-9-11-16(19)20-5)15(12-13-18)21-22(6,7)17(2,3)4/h8-11,14-15,18H,12-13H2,1-7H3/b10-8+,11-9-/t14-,15+/m1/s1.
What are the key properties of methyl (2Z,4E,6R,7S)-7-[tert-butyl(dimethyl)silyl]oxy-9-hydroxy-6-methylnona-2,4-dienoate?
methyl (2Z,4E,6R,7S)-7-[tert-butyl(dimethyl)silyl]oxy-9-hydroxy-6-methylnona-2,4-dienoate has a molecular weight of 328.53 g/mol, XLogP of 3.68, 8 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for methyl (2Z,4E,6R,7S)-7-[tert-butyl(dimethyl)silyl]oxy-9-hydroxy-6-methylnona-2,4-dienoate is sourced from PubChem (CID 25022838), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).