methyl 2-[(Z,1R,3R)-6-methoxy-4-methyl-6-oxo-3-propan-2-yl-1-trimethylsilyloxyhex-4-enyl]-5-oxocyclopentene-1-carboxylate

C21H34O6Si — CID 10024567

IUPACmethyl 2-[(Z,1R,3R)-6-methoxy-4-methyl-6-oxo-3-propan-2-yl-1-trimethylsilyloxyhex-4-enyl]-5-oxocyclopentene-1-carboxylate
SMILESCOC(=O)/C=C(/C)[C@H](C[C@@H](O[Si](C)(C)C)C1=C(C(=O)OC)C(=O)CC1)C(C)C
InChIInChI=1S/C21H34O6Si/c1-13(2)16(14(3)11-19(23)25-4)12-18(27-28(6,7)8)15-9-10-17(22)20(15)21(24)26-5/h11,13,16,18H,9-10,12H2,1-8H3/b14-11-/t16-,18-/m1/s1
InChIKeyBDRIELLSLUXMRN-HIROUSEGSA-N
MW410.58 g/mol
LogP3.82
Rot. Bonds9

About methyl 2-[(Z,1R,3R)-6-methoxy-4-methyl-6-oxo-3-propan-2-yl-1-trimethylsilyloxyhex-4-enyl]-5-oxocyclopentene-1-carboxylate

methyl 2-[(Z,1R,3R)-6-methoxy-4-methyl-6-oxo-3-propan-2-yl-1-trimethylsilyloxyhex-4-enyl]-5-oxocyclopentene-1-carboxylate (PubChem CID 10024567) has the molecular formula C21H34O6Si and a molecular weight of 410.58 g/mol. Its IUPAC name is methyl 2-[(Z,1R,3R)-6-methoxy-4-methyl-6-oxo-3-propan-2-yl-1-trimethylsilyloxyhex-4-enyl]-5-oxocyclopentene-1-carboxylate.

Molecular Properties

Compound Namemethyl 2-[(Z,1R,3R)-6-methoxy-4-methyl-6-oxo-3-propan-2-yl-1-trimethylsilyloxyhex-4-enyl]-5-oxocyclopentene-1-carboxylate
PubChem CID10024567
Molecular FormulaC21H34O6Si
Molecular Weight410.58 g/mol
Exact Mass410.21
IUPAC Namemethyl 2-[(Z,1R,3R)-6-methoxy-4-methyl-6-oxo-3-propan-2-yl-1-trimethylsilyloxyhex-4-enyl]-5-oxocyclopentene-1-carboxylate
SMILESCOC(=O)/C=C(/C)[C@H](C[C@@H](O[Si](C)(C)C)C1=C(C(=O)OC)C(=O)CC1)C(C)C
InChIInChI=1S/C21H34O6Si/c1-13(2)16(14(3)11-19(23)25-4)12-18(27-28(6,7)8)15-9-10-17(22)20(15)21(24)26-5/h11,13,16,18H,9-10,12H2,1-8H3/b14-11-/t16-,18-/m1/s1
InChIKeyBDRIELLSLUXMRN-HIROUSEGSA-N
XLogP3.82
TPSA78.90 Ų
H-Bond Donors
H-Bond Acceptors6
Rotatable Bonds9
Heavy Atoms28
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500410.58
LogP ≤ 53.82
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 106

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'heavy_metal', 'substructure': 'N/A'}, {'alert_name': 'Michael_acceptor_1', 'substructure': 'N/A'}, {'alert_name': 'Michael_acceptor_4', 'substructure': 'N/A'}

Analyze methyl 2-[(Z,1R,3R)-6-methoxy-4-methyl-6-oxo-3-propan-2-yl-1-trimethylsilyloxyhex-4-enyl]-5-oxocyclopentene-1-carboxylate with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

Prosta-10,13-dien-1-oic acid, 9-oxo-15-[(trimethylsilyl)oxy]-, trimethylsilyl ester, (13E,15S)-
CID 5352363
PGA1, methyl ester, trimethylsilyl ether
CID 91743543
(6S,7R,8S,9R,10R,11E,14R)-6,8-bis[[tert-butyl(dimethyl)silyl]oxy]-14-ethenyl-10-methoxy-7,9,12-trimethyl-1-oxacyclotetradec-11-ene-2,4-dione
CID 11490144
(6R)-1-(2,2-dimethyl-6-oxo-1,3-dioxin-4-yl)-3-(3-methylbut-2-enyl)-6-tri(propan-2-yl)silyloxyheptane-2,4-dione
CID 134839306
methyl (2E,4E,7S)-7-[tert-butyl(dimethyl)silyl]oxy-8-[(2S,6S)-6-[(2S,3R)-2-methoxy-3-methyl-4-oxopentyl]oxan-2-yl]-4-methylocta-2,4-dienoate
CID 134900066
methyl 5-[(4S)-4-[tert-butyl(dimethyl)silyl]oxy-2,6,6-trimethylcyclohex-2-en-1-yl]-3-oxopentanoate
CID 134918902
ethyl (4E)-2-[5-[tert-butyl(dimethyl)silyl]oxy-3-oxohexanoyl]-5,9-dimethyldeca-4,8-dienoate
CID 135010178
(4R,5R)-5-(2-methyl-5-oxocyclopenten-1-yl)-4-[(1R)-3-oxo-1-tri(propan-2-yl)silyloxybutyl]oxolan-2-one
CID 168305721
(3R,4S,5S,6S)-4-[tert-butyl(dimethyl)silyl]oxy-3,5-dimethyl-6-(4-methyl-2-oxopent-3-enyl)oxan-2-one
CID 10915231
methyl (E)-7-(5-oxo-3-trimethylsilyloxycyclopenten-1-yl)hept-2-enoate
CID 13055680
methyl (E)-7-[(3R)-3-[tert-butyl(dimethyl)silyl]oxy-5-oxocyclopenten-1-yl]hept-2-enoate
CID 14731781
methyl 6-[(3R)-3-[tert-butyl(dimethyl)silyl]oxy-5-oxocyclopenten-1-yl]-2-methylhexanoate
CID 18647285

Frequently Asked Questions

What is the IUPAC name of methyl 2-[(Z,1R,3R)-6-methoxy-4-methyl-6-oxo-3-propan-2-yl-1-trimethylsilyloxyhex-4-enyl]-5-oxocyclopentene-1-carboxylate?
The IUPAC name of methyl 2-[(Z,1R,3R)-6-methoxy-4-methyl-6-oxo-3-propan-2-yl-1-trimethylsilyloxyhex-4-enyl]-5-oxocyclopentene-1-carboxylate (CID 10024567) is methyl 2-[(Z,1R,3R)-6-methoxy-4-methyl-6-oxo-3-propan-2-yl-1-trimethylsilyloxyhex-4-enyl]-5-oxocyclopentene-1-carboxylate.
What is the SMILES notation for methyl 2-[(Z,1R,3R)-6-methoxy-4-methyl-6-oxo-3-propan-2-yl-1-trimethylsilyloxyhex-4-enyl]-5-oxocyclopentene-1-carboxylate?
The canonical SMILES for methyl 2-[(Z,1R,3R)-6-methoxy-4-methyl-6-oxo-3-propan-2-yl-1-trimethylsilyloxyhex-4-enyl]-5-oxocyclopentene-1-carboxylate is COC(=O)/C=C(/C)[C@H](C[C@@H](O[Si](C)(C)C)C1=C(C(=O)OC)C(=O)CC1)C(C)C.
What is the InChIKey of methyl 2-[(Z,1R,3R)-6-methoxy-4-methyl-6-oxo-3-propan-2-yl-1-trimethylsilyloxyhex-4-enyl]-5-oxocyclopentene-1-carboxylate?
The InChIKey is BDRIELLSLUXMRN-HIROUSEGSA-N. The full InChI is InChI=1S/C21H34O6Si/c1-13(2)16(14(3)11-19(23)25-4)12-18(27-28(6,7)8)15-9-10-17(22)20(15)21(24)26-5/h11,13,16,18H,9-10,12H2,1-8H3/b14-11-/t16-,18-/m1/s1.
What are the key properties of methyl 2-[(Z,1R,3R)-6-methoxy-4-methyl-6-oxo-3-propan-2-yl-1-trimethylsilyloxyhex-4-enyl]-5-oxocyclopentene-1-carboxylate?
methyl 2-[(Z,1R,3R)-6-methoxy-4-methyl-6-oxo-3-propan-2-yl-1-trimethylsilyloxyhex-4-enyl]-5-oxocyclopentene-1-carboxylate has a molecular weight of 410.58 g/mol, XLogP of 3.82, 9 rotatable bonds, 0 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for methyl 2-[(Z,1R,3R)-6-methoxy-4-methyl-6-oxo-3-propan-2-yl-1-trimethylsilyloxyhex-4-enyl]-5-oxocyclopentene-1-carboxylate is sourced from PubChem (CID 10024567), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).