methyl 7-[3,5-bis(trimethylsilyloxy)-2-[(E)-3-trimethylsilyloxyoct-1-enyl]cyclopentyl]-6-oxoheptanoate

C30H60O6Si3 — CID 5366466

IUPACmethyl 7-[3,5-bis(trimethylsilyloxy)-2-[(E)-3-trimethylsilyloxyoct-1-enyl]cyclopentyl]-6-oxoheptanoate
SMILESCCCCCC(/C=C/C1C(O[Si](C)(C)C)CC(O[Si](C)(C)C)C1CC(=O)CCCCC(=O)OC)O[Si](C)(C)C
InChIInChI=1S/C30H60O6Si3/c1-12-13-14-18-25(34-37(3,4)5)20-21-26-27(22-24(31)17-15-16-19-30(32)33-2)29(36-39(9,10)11)23-28(26)35-38(6,7)8/h20-21,25-29H,12-19,22-23H2,1-11H3/b21-20+
InChIKeyFNRDEAAAKZCLIC-QZQOTICOSA-N
MW601.06 g/mol
LogP8.11
Rot. Bonds19

About methyl 7-[3,5-bis(trimethylsilyloxy)-2-[(E)-3-trimethylsilyloxyoct-1-enyl]cyclopentyl]-6-oxoheptanoate

methyl 7-[3,5-bis(trimethylsilyloxy)-2-[(E)-3-trimethylsilyloxyoct-1-enyl]cyclopentyl]-6-oxoheptanoate (PubChem CID 5366466) has the molecular formula C30H60O6Si3 and a molecular weight of 601.06 g/mol. Its IUPAC name is methyl 7-[3,5-bis(trimethylsilyloxy)-2-[(E)-3-trimethylsilyloxyoct-1-enyl]cyclopentyl]-6-oxoheptanoate.

Molecular Properties

Compound Namemethyl 7-[3,5-bis(trimethylsilyloxy)-2-[(E)-3-trimethylsilyloxyoct-1-enyl]cyclopentyl]-6-oxoheptanoate
PubChem CID5366466
Molecular FormulaC30H60O6Si3
Molecular Weight601.06 g/mol
Exact Mass600.37
IUPAC Namemethyl 7-[3,5-bis(trimethylsilyloxy)-2-[(E)-3-trimethylsilyloxyoct-1-enyl]cyclopentyl]-6-oxoheptanoate
SMILESCCCCCC(/C=C/C1C(O[Si](C)(C)C)CC(O[Si](C)(C)C)C1CC(=O)CCCCC(=O)OC)O[Si](C)(C)C
InChIInChI=1S/C30H60O6Si3/c1-12-13-14-18-25(34-37(3,4)5)20-21-26-27(22-24(31)17-15-16-19-30(32)33-2)29(36-39(9,10)11)23-28(26)35-38(6,7)8/h20-21,25-29H,12-19,22-23H2,1-11H3/b21-20+
InChIKeyFNRDEAAAKZCLIC-QZQOTICOSA-N
XLogP8.11
TPSA71.06 Ų
H-Bond Donors
H-Bond Acceptors6
Rotatable Bonds19
Heavy Atoms39
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500601.06
LogP ≤ 58.11
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 106

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-[3,5-bis(trimethylsilyloxy)-2-[(E)-3-trimethylsilyloxyoct-1-enyl]cyclopentyl]-6-oxoheptanoate 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

6-Ketoprostaglandin F1 alpha
CID 5280888
delta(17)-6-Ketoprostaglandin F1alpha
CID 5283117
(9alpha,11alpha,13E,15S)-9,11,15-Trihydroxy-6-oxoprost-13-en-1-oic-3,3,4,4-d4 acid
CID 5283044
6-oxoprostaglandin F1alpha(1-)
CID 122164856
methyl 7-[(1R,2R,3R)-2-[(E)-4-methyl-4-trimethylsilyloxyoct-1-enyl]-5-oxo-3-triethylsilyloxycyclopentyl]heptanoate
CID 10940779
(3aR,4R,5R,6aS)-5-[tert-butyl(dimethyl)silyl]oxy-4-[(3S)-3-[tert-butyl(dimethyl)silyl]oxy-5-methylnon-1-enyl]-3-fluoro-3,3a,4,5,6,6a-hexahydrocyclopenta[b]furan-2-one
CID 69963051
(3aR,4R,5R,6aS)-5-[tert-butyl(dimethyl)silyl]oxy-4-[(3S,5S)-3-[tert-butyl(dimethyl)silyl]oxy-5-methylnon-1-enyl]-3-fluoro-3,3a,4,5,6,6a-hexahydrocyclopenta[b]furan-2-one
CID 69963561
Prostaglandin E2, 3TMS
CID 5376478
Prostaglandin D(2), O,O'-bis(trimethylsilyl)-, trimethylsilyl ester
CID 91696406
Pgf2 tms
CID 91746945
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 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

Frequently Asked Questions

What is the IUPAC name of methyl 7-[3,5-bis(trimethylsilyloxy)-2-[(E)-3-trimethylsilyloxyoct-1-enyl]cyclopentyl]-6-oxoheptanoate?
The IUPAC name of methyl 7-[3,5-bis(trimethylsilyloxy)-2-[(E)-3-trimethylsilyloxyoct-1-enyl]cyclopentyl]-6-oxoheptanoate (CID 5366466) is methyl 7-[3,5-bis(trimethylsilyloxy)-2-[(E)-3-trimethylsilyloxyoct-1-enyl]cyclopentyl]-6-oxoheptanoate.
What is the SMILES notation for methyl 7-[3,5-bis(trimethylsilyloxy)-2-[(E)-3-trimethylsilyloxyoct-1-enyl]cyclopentyl]-6-oxoheptanoate?
The canonical SMILES for methyl 7-[3,5-bis(trimethylsilyloxy)-2-[(E)-3-trimethylsilyloxyoct-1-enyl]cyclopentyl]-6-oxoheptanoate is CCCCCC(/C=C/C1C(O[Si](C)(C)C)CC(O[Si](C)(C)C)C1CC(=O)CCCCC(=O)OC)O[Si](C)(C)C.
What is the InChIKey of methyl 7-[3,5-bis(trimethylsilyloxy)-2-[(E)-3-trimethylsilyloxyoct-1-enyl]cyclopentyl]-6-oxoheptanoate?
The InChIKey is FNRDEAAAKZCLIC-QZQOTICOSA-N. The full InChI is InChI=1S/C30H60O6Si3/c1-12-13-14-18-25(34-37(3,4)5)20-21-26-27(22-24(31)17-15-16-19-30(32)33-2)29(36-39(9,10)11)23-28(26)35-38(6,7)8/h20-21,25-29H,12-19,22-23H2,1-11H3/b21-20+.
What are the key properties of methyl 7-[3,5-bis(trimethylsilyloxy)-2-[(E)-3-trimethylsilyloxyoct-1-enyl]cyclopentyl]-6-oxoheptanoate?
methyl 7-[3,5-bis(trimethylsilyloxy)-2-[(E)-3-trimethylsilyloxyoct-1-enyl]cyclopentyl]-6-oxoheptanoate has a molecular weight of 601.06 g/mol, XLogP of 8.11, 19 rotatable bonds, 0 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for methyl 7-[3,5-bis(trimethylsilyloxy)-2-[(E)-3-trimethylsilyloxyoct-1-enyl]cyclopentyl]-6-oxoheptanoate is sourced from PubChem (CID 5366466), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).