methyl 7-[(2R,3S)-2-(2-methylbut-3-en-2-yl)-5-oxo-3-triethylsilyloxycyclopentyl]heptanoate

C24H44O4Si — CID 134922413

IUPACmethyl 7-[(2R,3S)-2-(2-methylbut-3-en-2-yl)-5-oxo-3-triethylsilyloxycyclopentyl]heptanoate
SMILESC=CC(C)(C)[C@H]1C(CCCCCCC(=O)OC)C(=O)C[C@@H]1O[Si](CC)(CC)CC
InChIInChI=1S/C24H44O4Si/c1-8-24(5,6)23-19(16-14-12-13-15-17-22(26)27-7)20(25)18-21(23)28-29(9-2,10-3)11-4/h8,19,21,23H,1,9-18H2,2-7H3/t19?,21-,23-/m0/s1
InChIKeyULZQUXRDUNWYFO-FLJXZVEISA-N
MW424.70 g/mol
LogP6.31
Rot. Bonds14

About methyl 7-[(2R,3S)-2-(2-methylbut-3-en-2-yl)-5-oxo-3-triethylsilyloxycyclopentyl]heptanoate

methyl 7-[(2R,3S)-2-(2-methylbut-3-en-2-yl)-5-oxo-3-triethylsilyloxycyclopentyl]heptanoate (PubChem CID 134922413) has the molecular formula C24H44O4Si and a molecular weight of 424.70 g/mol. Its IUPAC name is methyl 7-[(2R,3S)-2-(2-methylbut-3-en-2-yl)-5-oxo-3-triethylsilyloxycyclopentyl]heptanoate.

Molecular Properties

Compound Namemethyl 7-[(2R,3S)-2-(2-methylbut-3-en-2-yl)-5-oxo-3-triethylsilyloxycyclopentyl]heptanoate
PubChem CID134922413
Molecular FormulaC24H44O4Si
Molecular Weight424.70 g/mol
Exact Mass424.30
IUPAC Namemethyl 7-[(2R,3S)-2-(2-methylbut-3-en-2-yl)-5-oxo-3-triethylsilyloxycyclopentyl]heptanoate
SMILESC=CC(C)(C)[C@H]1C(CCCCCCC(=O)OC)C(=O)C[C@@H]1O[Si](CC)(CC)CC
InChIInChI=1S/C24H44O4Si/c1-8-24(5,6)23-19(16-14-12-13-15-17-22(26)27-7)20(25)18-21(23)28-29(9-2,10-3)11-4/h8,19,21,23H,1,9-18H2,2-7H3/t19?,21-,23-/m0/s1
InChIKeyULZQUXRDUNWYFO-FLJXZVEISA-N
XLogP6.31
TPSA52.60 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds14
Heavy Atoms29
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500424.70
LogP ≤ 56.31
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

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

Analyze methyl 7-[(2R,3S)-2-(2-methylbut-3-en-2-yl)-5-oxo-3-triethylsilyloxycyclopentyl]heptanoate with MolForge

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Related Compounds

methyl 7-[(1R,2R,3R)-2-[(E)-4-methyl-4-trimethylsilyloxyoct-1-enyl]-5-oxo-3-triethylsilyloxycyclopentyl]heptanoate
CID 10940779
methyl 6-[[(1R,2R,3R)-3-[tert-butyl(dimethyl)silyl]oxy-2-[(E,3S)-3-[tert-butyl(dimethyl)silyl]oxyoct-1-enyl]-5-oxocyclopentyl]methyl]hept-6-enoate
CID 14078442
methyl 7-[(1R,2R,3R)-2-[(E)-2,4-dimethyl-4-trimethylsilyloxyoct-1-enyl]-5-oxo-3-triethylsilyloxycyclopentyl]heptanoate
CID 15071512
ethyl (5R,6R,10R)-6-[tert-butyl(dimethyl)silyl]oxy-4-oxospiro[4.5]dec-8-ene-10-carboxylate
CID 102275965
methyl (E)-7-[(1R,2R,3R)-2-[(E)-4-methyl-4-trimethylsilyloxyoct-1-enyl]-5-oxo-3-triethylsilyloxycyclopentyl]hept-4-enoate
CID 134902434
methyl 7-[(2R,3R)-2-[(E)-2,4-dimethyl-4-trimethylsilyloxyoct-1-enyl]-5-oxo-3-triethylsilyloxycyclopentyl]heptanoate
CID 134903269
methyl 7-[(2S,3S)-2-(3-methylbut-2-enyl)-5-oxo-3-triethylsilyloxycyclopentyl]heptanoate
CID 134922459
methyl 6-[[(1R,3R)-3-[tert-butyl(dimethyl)silyl]oxy-2-[(E,3S)-3-[tert-butyl(dimethyl)silyl]oxyoct-1-enyl]-5-oxocyclopentyl]methyl]hept-6-enoate
CID 139265829
Pge1 tms
CID 91746944
Prost-13-en-1-oic acid, 9-oxo-11,15-bis[(trimethylsilyl)oxy]-, trimethylsilyl ester, (11alpha,13E,15S)-
CID 5376480
trimethylsilyl 7-[(1S,2R,3R)-5-oxo-3-trimethylsilyloxy-2-[(E,3S)-3-trimethylsilyloxyoct-1-enyl]cyclopentyl]heptanoate
CID 102116971
methyl (3R,3aR,7aR)-3-[tert-butyl(dimethyl)silyl]oxy-6-(3-methoxy-3-oxopropyl)-1,2,3,4,5,7a-hexahydroindene-3a-carboxylate
CID 102399514

Frequently Asked Questions

What is the IUPAC name of methyl 7-[(2R,3S)-2-(2-methylbut-3-en-2-yl)-5-oxo-3-triethylsilyloxycyclopentyl]heptanoate?
The IUPAC name of methyl 7-[(2R,3S)-2-(2-methylbut-3-en-2-yl)-5-oxo-3-triethylsilyloxycyclopentyl]heptanoate (CID 134922413) is methyl 7-[(2R,3S)-2-(2-methylbut-3-en-2-yl)-5-oxo-3-triethylsilyloxycyclopentyl]heptanoate.
What is the SMILES notation for methyl 7-[(2R,3S)-2-(2-methylbut-3-en-2-yl)-5-oxo-3-triethylsilyloxycyclopentyl]heptanoate?
The canonical SMILES for methyl 7-[(2R,3S)-2-(2-methylbut-3-en-2-yl)-5-oxo-3-triethylsilyloxycyclopentyl]heptanoate is C=CC(C)(C)[C@H]1C(CCCCCCC(=O)OC)C(=O)C[C@@H]1O[Si](CC)(CC)CC.
What is the InChIKey of methyl 7-[(2R,3S)-2-(2-methylbut-3-en-2-yl)-5-oxo-3-triethylsilyloxycyclopentyl]heptanoate?
The InChIKey is ULZQUXRDUNWYFO-FLJXZVEISA-N. The full InChI is InChI=1S/C24H44O4Si/c1-8-24(5,6)23-19(16-14-12-13-15-17-22(26)27-7)20(25)18-21(23)28-29(9-2,10-3)11-4/h8,19,21,23H,1,9-18H2,2-7H3/t19?,21-,23-/m0/s1.
What are the key properties of methyl 7-[(2R,3S)-2-(2-methylbut-3-en-2-yl)-5-oxo-3-triethylsilyloxycyclopentyl]heptanoate?
methyl 7-[(2R,3S)-2-(2-methylbut-3-en-2-yl)-5-oxo-3-triethylsilyloxycyclopentyl]heptanoate has a molecular weight of 424.70 g/mol, XLogP of 6.31, 14 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for methyl 7-[(2R,3S)-2-(2-methylbut-3-en-2-yl)-5-oxo-3-triethylsilyloxycyclopentyl]heptanoate is sourced from PubChem (CID 134922413), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).