methyl (E)-8-[(3Z)-3-methoxyimino-2-(3-methoxy-3-oxopropyl)cyclopenten-1-yl]-6-trimethylsilyloxyoct-7-enoate

C22H37NO6Si — CID 5379790

IUPACmethyl (E)-8-[(3Z)-3-methoxyimino-2-(3-methoxy-3-oxopropyl)cyclopenten-1-yl]-6-trimethylsilyloxyoct-7-enoate
SMILESCO/N=C1/CCC(/C=C/C(CCCCC(=O)OC)O[Si](C)(C)C)=C1CCC(=O)OC
InChIInChI=1S/C22H37NO6Si/c1-26-21(24)10-8-7-9-18(29-30(4,5)6)13-11-17-12-15-20(23-28-3)19(17)14-16-22(25)27-2/h11,13,18H,7-10,12,14-16H2,1-6H3/b13-11+,23-20-
InChIKeyGOCVWPAKUZHOPC-YHTZLPLQSA-N
MW439.63 g/mol
LogP4.54
Rot. Bonds13

About methyl (E)-8-[(3Z)-3-methoxyimino-2-(3-methoxy-3-oxopropyl)cyclopenten-1-yl]-6-trimethylsilyloxyoct-7-enoate

methyl (E)-8-[(3Z)-3-methoxyimino-2-(3-methoxy-3-oxopropyl)cyclopenten-1-yl]-6-trimethylsilyloxyoct-7-enoate (PubChem CID 5379790) has the molecular formula C22H37NO6Si and a molecular weight of 439.63 g/mol. Its IUPAC name is methyl (E)-8-[(3Z)-3-methoxyimino-2-(3-methoxy-3-oxopropyl)cyclopenten-1-yl]-6-trimethylsilyloxyoct-7-enoate.

Molecular Properties

Compound Namemethyl (E)-8-[(3Z)-3-methoxyimino-2-(3-methoxy-3-oxopropyl)cyclopenten-1-yl]-6-trimethylsilyloxyoct-7-enoate
PubChem CID5379790
Molecular FormulaC22H37NO6Si
Molecular Weight439.63 g/mol
Exact Mass439.24
IUPAC Namemethyl (E)-8-[(3Z)-3-methoxyimino-2-(3-methoxy-3-oxopropyl)cyclopenten-1-yl]-6-trimethylsilyloxyoct-7-enoate
SMILESCO/N=C1/CCC(/C=C/C(CCCCC(=O)OC)O[Si](C)(C)C)=C1CCC(=O)OC
InChIInChI=1S/C22H37NO6Si/c1-26-21(24)10-8-7-9-18(29-30(4,5)6)13-11-17-12-15-20(23-28-3)19(17)14-16-22(25)27-2/h11,13,18H,7-10,12,14-16H2,1-6H3/b13-11+,23-20-
InChIKeyGOCVWPAKUZHOPC-YHTZLPLQSA-N
XLogP4.54
TPSA83.42 Ų
H-Bond Donors
H-Bond Acceptors7
Rotatable Bonds13
Heavy Atoms30
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500439.63
LogP ≤ 54.54
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 107

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}, {'alert_name': 'heavy_metal', 'substructure': 'N/A'}, {'alert_name': 'imine_1', 'substructure': 'N/A'}, {'alert_name': 'Oxygen-nitrogen_single_bond', 'substructure': 'N/A'}

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Related Compounds

methyl 3-[(5E)-5-methoxyimino-2-[(E,3S)-3-trimethylsilyloxyoct-1-enyl]cyclopenten-1-yl]propanoate
CID 90475554
trimethylsilyl 7-[(5E)-5-methoxyimino-2-[(E,3S)-3-trimethylsilyloxyoct-1-enyl]cyclopenten-1-yl]heptanoate
CID 177404290
trimethylsilyl 7-[5-ethoxyimino-2-(3-trimethylsilyloxyoct-1-enyl)cyclopenten-1-yl]heptanoate
CID 635451
methyl (E,9S)-9-[tert-butyl(dimethyl)silyl]oxy-11-(2-ethyl-3-oxocyclopenten-1-yl)undec-10-enoate
CID 56958097
trimethylsilyl 7-[5-oxo-2-[(E)-3-trimethylsilyloxyoct-1-enyl]cyclopenten-1-yl]heptanoate
CID 5352365
methyl (E,10S,13S)-10,13-bis(trimethylsilyloxy)icos-11-enoate
CID 10006194
trimethylsilyl (Z)-7-[5-oxo-2-[(E,3S)-3-trimethylsilyloxyoct-1-enyl]cyclopenten-1-yl]hept-5-enoate
CID 21160102
methyl (Z)-11-trimethylsilyloxyoctadec-9-enoate
CID 5366650
methyl (E)-13-trimethylsilyloxyoctadec-11-enoate
CID 10000118
methyl 7-[2-[(E,3S)-3-acetyloxyoct-1-enyl]-5-oxocyclopenten-1-yl]heptanoate
CID 90470265
CID 6329892
CID 6329892
methyl 7-[3,5-bis(trimethylsilyloxy)-2-(3-trimethylsilyloxyoct-1-enyl)cyclopentyl]heptanoate
CID 634633

Frequently Asked Questions

What is the IUPAC name of methyl (E)-8-[(3Z)-3-methoxyimino-2-(3-methoxy-3-oxopropyl)cyclopenten-1-yl]-6-trimethylsilyloxyoct-7-enoate?
The IUPAC name of methyl (E)-8-[(3Z)-3-methoxyimino-2-(3-methoxy-3-oxopropyl)cyclopenten-1-yl]-6-trimethylsilyloxyoct-7-enoate (CID 5379790) is methyl (E)-8-[(3Z)-3-methoxyimino-2-(3-methoxy-3-oxopropyl)cyclopenten-1-yl]-6-trimethylsilyloxyoct-7-enoate.
What is the SMILES notation for methyl (E)-8-[(3Z)-3-methoxyimino-2-(3-methoxy-3-oxopropyl)cyclopenten-1-yl]-6-trimethylsilyloxyoct-7-enoate?
The canonical SMILES for methyl (E)-8-[(3Z)-3-methoxyimino-2-(3-methoxy-3-oxopropyl)cyclopenten-1-yl]-6-trimethylsilyloxyoct-7-enoate is CO/N=C1/CCC(/C=C/C(CCCCC(=O)OC)O[Si](C)(C)C)=C1CCC(=O)OC.
What is the InChIKey of methyl (E)-8-[(3Z)-3-methoxyimino-2-(3-methoxy-3-oxopropyl)cyclopenten-1-yl]-6-trimethylsilyloxyoct-7-enoate?
The InChIKey is GOCVWPAKUZHOPC-YHTZLPLQSA-N. The full InChI is InChI=1S/C22H37NO6Si/c1-26-21(24)10-8-7-9-18(29-30(4,5)6)13-11-17-12-15-20(23-28-3)19(17)14-16-22(25)27-2/h11,13,18H,7-10,12,14-16H2,1-6H3/b13-11+,23-20-.
What are the key properties of methyl (E)-8-[(3Z)-3-methoxyimino-2-(3-methoxy-3-oxopropyl)cyclopenten-1-yl]-6-trimethylsilyloxyoct-7-enoate?
methyl (E)-8-[(3Z)-3-methoxyimino-2-(3-methoxy-3-oxopropyl)cyclopenten-1-yl]-6-trimethylsilyloxyoct-7-enoate has a molecular weight of 439.63 g/mol, XLogP of 4.54, 13 rotatable bonds, 0 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for methyl (E)-8-[(3Z)-3-methoxyimino-2-(3-methoxy-3-oxopropyl)cyclopenten-1-yl]-6-trimethylsilyloxyoct-7-enoate is sourced from PubChem (CID 5379790), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).