methyl 7-trimethylsilyloxy-7-[5-trimethylsilyloxy-2-[(E)-1-trimethylsilyloxyoct-3-enyl]cyclopent-2-en-1-yl]heptanoate

C30H60O5Si3 — CID 5375250

IUPACmethyl 7-trimethylsilyloxy-7-[5-trimethylsilyloxy-2-[(E)-1-trimethylsilyloxyoct-3-enyl]cyclopent-2-en-1-yl]heptanoate
SMILESCCCC/C=C/CC(O[Si](C)(C)C)C1=CCC(O[Si](C)(C)C)C1C(CCCCCC(=O)OC)O[Si](C)(C)C
InChIInChI=1S/C30H60O5Si3/c1-12-13-14-15-17-20-26(33-36(3,4)5)25-23-24-28(35-38(9,10)11)30(25)27(34-37(6,7)8)21-18-16-19-22-29(31)32-2/h15,17,23,26-28,30H,12-14,16,18-22,24H2,1-11H3/b17-15+
InChIKeyVVMPRNOOCKXQBE-BMRADRMJSA-N
MW585.06 g/mol
LogP8.85
Rot. Bonds19

About methyl 7-trimethylsilyloxy-7-[5-trimethylsilyloxy-2-[(E)-1-trimethylsilyloxyoct-3-enyl]cyclopent-2-en-1-yl]heptanoate

methyl 7-trimethylsilyloxy-7-[5-trimethylsilyloxy-2-[(E)-1-trimethylsilyloxyoct-3-enyl]cyclopent-2-en-1-yl]heptanoate (PubChem CID 5375250) has the molecular formula C30H60O5Si3 and a molecular weight of 585.06 g/mol. Its IUPAC name is methyl 7-trimethylsilyloxy-7-[5-trimethylsilyloxy-2-[(E)-1-trimethylsilyloxyoct-3-enyl]cyclopent-2-en-1-yl]heptanoate.

Molecular Properties

Compound Namemethyl 7-trimethylsilyloxy-7-[5-trimethylsilyloxy-2-[(E)-1-trimethylsilyloxyoct-3-enyl]cyclopent-2-en-1-yl]heptanoate
PubChem CID5375250
Molecular FormulaC30H60O5Si3
Molecular Weight585.06 g/mol
Exact Mass584.37
IUPAC Namemethyl 7-trimethylsilyloxy-7-[5-trimethylsilyloxy-2-[(E)-1-trimethylsilyloxyoct-3-enyl]cyclopent-2-en-1-yl]heptanoate
SMILESCCCC/C=C/CC(O[Si](C)(C)C)C1=CCC(O[Si](C)(C)C)C1C(CCCCCC(=O)OC)O[Si](C)(C)C
InChIInChI=1S/C30H60O5Si3/c1-12-13-14-15-17-20-26(33-36(3,4)5)25-23-24-28(35-38(9,10)11)30(25)27(34-37(6,7)8)21-18-16-19-22-29(31)32-2/h15,17,23,26-28,30H,12-14,16,18-22,24H2,1-11H3/b17-15+
InChIKeyVVMPRNOOCKXQBE-BMRADRMJSA-N
XLogP8.85
TPSA53.99 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds19
Heavy Atoms38
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500585.06
LogP ≤ 58.85
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-trimethylsilyloxy-7-[5-trimethylsilyloxy-2-[(E)-1-trimethylsilyloxyoct-3-enyl]cyclopent-2-en-1-yl]heptanoate 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

9-Enol-prostaglandin E2 methyl ester trimethylsilyl ether
CID 6439878
Methyl (5Z,13E,15S)-9,11alpha,15-tris[(trimethylsilyl)oxy]prosta-5,8,13-trien-1-oate
CID 165340442
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
ethyl (1S,4R)-4-[tert-butyl(dimethyl)silyl]oxy-1-methyl-2-[(2S,3E,5E)-2-methylhepta-3,5-dienyl]cyclopent-2-ene-1-carboxylate
CID 134840297
[(4R,5S,7E,9R,10R,12R)-10,12-bis[[tert-butyl(dimethyl)silyl]oxy]-5,7,9-trimethyltrideca-1,7-dien-4-yl] (5S)-6,8-dimethyl-5-triethylsilyloxynon-8-enoate
CID 134867137
Pgf 1A, tms
CID 21160060
Pgf 1B, tms
CID 21160061
Prost-13-en-1-oic acid, 9,11,15-tris[(trimethylsilyl)oxy]-, trimethylsilyl ester, (9beta,11alpha,13E,15S)-
CID 5366446
Methyl (13E)-6-oxo-9,11,15-tris[(trimethylsilyl)oxy]prost-13-en-1-oate
CID 5366466
Prosta-5,13-dien-1-oic acid, 15-methyl-9,11,15-tris[(trimethylsilyl)oxy]-, methyl ester, (5Z,8beta,9alpha,11alpha,12alpha,13E,15S)-
CID 5366583
Prostaglandin F2alpha-trimethylsilyl methyl ester
CID 5366674

Frequently Asked Questions

What is the IUPAC name of methyl 7-trimethylsilyloxy-7-[5-trimethylsilyloxy-2-[(E)-1-trimethylsilyloxyoct-3-enyl]cyclopent-2-en-1-yl]heptanoate?
The IUPAC name of methyl 7-trimethylsilyloxy-7-[5-trimethylsilyloxy-2-[(E)-1-trimethylsilyloxyoct-3-enyl]cyclopent-2-en-1-yl]heptanoate (CID 5375250) is methyl 7-trimethylsilyloxy-7-[5-trimethylsilyloxy-2-[(E)-1-trimethylsilyloxyoct-3-enyl]cyclopent-2-en-1-yl]heptanoate.
What is the SMILES notation for methyl 7-trimethylsilyloxy-7-[5-trimethylsilyloxy-2-[(E)-1-trimethylsilyloxyoct-3-enyl]cyclopent-2-en-1-yl]heptanoate?
The canonical SMILES for methyl 7-trimethylsilyloxy-7-[5-trimethylsilyloxy-2-[(E)-1-trimethylsilyloxyoct-3-enyl]cyclopent-2-en-1-yl]heptanoate is CCCC/C=C/CC(O[Si](C)(C)C)C1=CCC(O[Si](C)(C)C)C1C(CCCCCC(=O)OC)O[Si](C)(C)C.
What is the InChIKey of methyl 7-trimethylsilyloxy-7-[5-trimethylsilyloxy-2-[(E)-1-trimethylsilyloxyoct-3-enyl]cyclopent-2-en-1-yl]heptanoate?
The InChIKey is VVMPRNOOCKXQBE-BMRADRMJSA-N. The full InChI is InChI=1S/C30H60O5Si3/c1-12-13-14-15-17-20-26(33-36(3,4)5)25-23-24-28(35-38(9,10)11)30(25)27(34-37(6,7)8)21-18-16-19-22-29(31)32-2/h15,17,23,26-28,30H,12-14,16,18-22,24H2,1-11H3/b17-15+.
What are the key properties of methyl 7-trimethylsilyloxy-7-[5-trimethylsilyloxy-2-[(E)-1-trimethylsilyloxyoct-3-enyl]cyclopent-2-en-1-yl]heptanoate?
methyl 7-trimethylsilyloxy-7-[5-trimethylsilyloxy-2-[(E)-1-trimethylsilyloxyoct-3-enyl]cyclopent-2-en-1-yl]heptanoate has a molecular weight of 585.06 g/mol, XLogP of 8.85, 19 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for methyl 7-trimethylsilyloxy-7-[5-trimethylsilyloxy-2-[(E)-1-trimethylsilyloxyoct-3-enyl]cyclopent-2-en-1-yl]heptanoate is sourced from PubChem (CID 5375250), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).