methyl 7-[(1R,2R,3R)-2-[(E)-2,4-dimethyl-4-trimethylsilyloxyoct-1-enyl]-5-oxo-3-triethylsilyloxycyclopentyl]heptanoate

C32H62O5Si2 — CID 15071512

IUPACmethyl 7-[(1R,2R,3R)-2-[(E)-2,4-dimethyl-4-trimethylsilyloxyoct-1-enyl]-5-oxo-3-triethylsilyloxycyclopentyl]heptanoate
SMILESCCCCC(C)(C/C(C)=C/[C@H]1[C@H](O[Si](CC)(CC)CC)CC(=O)[C@@H]1CCCCCCC(=O)OC)O[Si](C)(C)C
InChIInChI=1S/C32H62O5Si2/c1-11-15-22-32(6,37-38(8,9)10)25-26(5)23-28-27(20-18-16-17-19-21-31(34)35-7)29(33)24-30(28)36-39(12-2,13-3)14-4/h23,27-28,30H,11-22,24-25H2,1-10H3/b26-23+/t27-,28-,30-,32?/m1/s1
InChIKeyMCVSZYGVZCSVSE-QNZYNUOCSA-N
MW583.02 g/mol
LogP9.23
Rot. Bonds20

About methyl 7-[(1R,2R,3R)-2-[(E)-2,4-dimethyl-4-trimethylsilyloxyoct-1-enyl]-5-oxo-3-triethylsilyloxycyclopentyl]heptanoate

methyl 7-[(1R,2R,3R)-2-[(E)-2,4-dimethyl-4-trimethylsilyloxyoct-1-enyl]-5-oxo-3-triethylsilyloxycyclopentyl]heptanoate (PubChem CID 15071512) has the molecular formula C32H62O5Si2 and a molecular weight of 583.02 g/mol. Its IUPAC name is methyl 7-[(1R,2R,3R)-2-[(E)-2,4-dimethyl-4-trimethylsilyloxyoct-1-enyl]-5-oxo-3-triethylsilyloxycyclopentyl]heptanoate.

Molecular Properties

Compound Namemethyl 7-[(1R,2R,3R)-2-[(E)-2,4-dimethyl-4-trimethylsilyloxyoct-1-enyl]-5-oxo-3-triethylsilyloxycyclopentyl]heptanoate
PubChem CID15071512
Molecular FormulaC32H62O5Si2
Molecular Weight583.02 g/mol
Exact Mass582.41
IUPAC Namemethyl 7-[(1R,2R,3R)-2-[(E)-2,4-dimethyl-4-trimethylsilyloxyoct-1-enyl]-5-oxo-3-triethylsilyloxycyclopentyl]heptanoate
SMILESCCCCC(C)(C/C(C)=C/[C@H]1[C@H](O[Si](CC)(CC)CC)CC(=O)[C@@H]1CCCCCCC(=O)OC)O[Si](C)(C)C
InChIInChI=1S/C32H62O5Si2/c1-11-15-22-32(6,37-38(8,9)10)25-26(5)23-28-27(20-18-16-17-19-21-31(34)35-7)29(33)24-30(28)36-39(12-2,13-3)14-4/h23,27-28,30H,11-22,24-25H2,1-10H3/b26-23+/t27-,28-,30-,32?/m1/s1
InChIKeyMCVSZYGVZCSVSE-QNZYNUOCSA-N
XLogP9.23
TPSA61.83 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds20
Heavy Atoms39
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500583.02
LogP ≤ 59.23
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

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-[(1R,2R,3R)-2-[(E)-2,4-dimethyl-4-trimethylsilyloxyoct-1-enyl]-5-oxo-3-triethylsilyloxycyclopentyl]heptanoate with MolForge

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Launch Full Analysis

Related Compounds

methyl 7-[(1R,2R,3R)-2-[(E)-4-methyl-4-trimethylsilyloxyoct-1-enyl]-5-oxo-3-triethylsilyloxycyclopentyl]heptanoate
CID 10940779
(Z)-7-[(1R,2R,3R)-3-[Tert-butyl(dimethyl)silyl]oxy-2-[(E,3S)-3-[tert-butyl(dimethyl)silyl]oxyoct-1-enyl]-5-oxocyclopentyl]hept-5-enoic acid
CID 12017624
methyl 7-[(1S,2R,3R)-3-[tert-butyl(dimethyl)silyl]oxy-2-[(E)-4-methyl-4-trimethylsilyloxyoct-1-enyl]-5-oxocyclopentyl]-7-hydroxyheptanoate
CID 5469501
Prostaglandin E2, 3TMS
CID 5376478
Prostaglandin D(2), O,O'-bis(trimethylsilyl)-, trimethylsilyl ester
CID 91696406
methyl 7-[(1R,2R,3R)-3-[tert-butyl(dimethyl)silyl]oxy-2-[(E,3S)-3-[tert-butyl(dimethyl)silyl]oxyoct-1-enyl]-5-oxocyclopentyl]-6-oxoheptanoate
CID 10941082
methyl 7-[(1R,2R,3R)-3-[tert-butyl(dimethyl)silyl]oxy-2-[(E,3S)-3-[tert-butyl(dimethyl)silyl]oxyoct-1-enyl]-5-oxocyclopentyl]hept-5-ynoate
CID 13590064
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)-3-[tert-butyl(dimethyl)silyl]oxy-2-[(E,3R,4R)-3-[tert-butyl(dimethyl)silyl]oxy-4-methoxy-4-methyloct-1-enyl]-5-oxocyclopentyl]heptanoate
CID 134901192
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
7-[(1R,2R,3R)-2-[(E,3S)-3-[tert-butyl(dimethyl)silyl]oxyoct-1-enyl]-3-hydroxy-5-oxocyclopentyl]heptanoic acid
CID 134917134

Frequently Asked Questions

What is the IUPAC name of methyl 7-[(1R,2R,3R)-2-[(E)-2,4-dimethyl-4-trimethylsilyloxyoct-1-enyl]-5-oxo-3-triethylsilyloxycyclopentyl]heptanoate?
The IUPAC name of methyl 7-[(1R,2R,3R)-2-[(E)-2,4-dimethyl-4-trimethylsilyloxyoct-1-enyl]-5-oxo-3-triethylsilyloxycyclopentyl]heptanoate (CID 15071512) is methyl 7-[(1R,2R,3R)-2-[(E)-2,4-dimethyl-4-trimethylsilyloxyoct-1-enyl]-5-oxo-3-triethylsilyloxycyclopentyl]heptanoate.
What is the SMILES notation for methyl 7-[(1R,2R,3R)-2-[(E)-2,4-dimethyl-4-trimethylsilyloxyoct-1-enyl]-5-oxo-3-triethylsilyloxycyclopentyl]heptanoate?
The canonical SMILES for methyl 7-[(1R,2R,3R)-2-[(E)-2,4-dimethyl-4-trimethylsilyloxyoct-1-enyl]-5-oxo-3-triethylsilyloxycyclopentyl]heptanoate is CCCCC(C)(C/C(C)=C/[C@H]1[C@H](O[Si](CC)(CC)CC)CC(=O)[C@@H]1CCCCCCC(=O)OC)O[Si](C)(C)C.
What is the InChIKey of methyl 7-[(1R,2R,3R)-2-[(E)-2,4-dimethyl-4-trimethylsilyloxyoct-1-enyl]-5-oxo-3-triethylsilyloxycyclopentyl]heptanoate?
The InChIKey is MCVSZYGVZCSVSE-QNZYNUOCSA-N. The full InChI is InChI=1S/C32H62O5Si2/c1-11-15-22-32(6,37-38(8,9)10)25-26(5)23-28-27(20-18-16-17-19-21-31(34)35-7)29(33)24-30(28)36-39(12-2,13-3)14-4/h23,27-28,30H,11-22,24-25H2,1-10H3/b26-23+/t27-,28-,30-,32?/m1/s1.
What are the key properties of methyl 7-[(1R,2R,3R)-2-[(E)-2,4-dimethyl-4-trimethylsilyloxyoct-1-enyl]-5-oxo-3-triethylsilyloxycyclopentyl]heptanoate?
methyl 7-[(1R,2R,3R)-2-[(E)-2,4-dimethyl-4-trimethylsilyloxyoct-1-enyl]-5-oxo-3-triethylsilyloxycyclopentyl]heptanoate has a molecular weight of 583.02 g/mol, XLogP of 9.23, 20 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for methyl 7-[(1R,2R,3R)-2-[(E)-2,4-dimethyl-4-trimethylsilyloxyoct-1-enyl]-5-oxo-3-triethylsilyloxycyclopentyl]heptanoate is sourced from PubChem (CID 15071512), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).