methyl 7-trimethylsilyloxy-7-[2-trimethylsilyloxy-5-(1-trimethylsilyloxyoctyl)cyclopentyl]heptanoate

C30H64O5Si3 — CID 599798

IUPACmethyl 7-trimethylsilyloxy-7-[2-trimethylsilyloxy-5-(1-trimethylsilyloxyoctyl)cyclopentyl]heptanoate
SMILESCCCCCCCC(O[Si](C)(C)C)C1CCC(O[Si](C)(C)C)C1C(CCCCCC(=O)OC)O[Si](C)(C)C
InChIInChI=1S/C30H64O5Si3/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/h25-28,30H,12-24H2,1-11H3
InChIKeyOOJUEBLUTVMIET-UHFFFAOYSA-N
MW589.10 g/mol
LogP9.16
Rot. Bonds20

About methyl 7-trimethylsilyloxy-7-[2-trimethylsilyloxy-5-(1-trimethylsilyloxyoctyl)cyclopentyl]heptanoate

methyl 7-trimethylsilyloxy-7-[2-trimethylsilyloxy-5-(1-trimethylsilyloxyoctyl)cyclopentyl]heptanoate (PubChem CID 599798) has the molecular formula C30H64O5Si3 and a molecular weight of 589.10 g/mol. Its IUPAC name is methyl 7-trimethylsilyloxy-7-[2-trimethylsilyloxy-5-(1-trimethylsilyloxyoctyl)cyclopentyl]heptanoate.

Molecular Properties

Compound Namemethyl 7-trimethylsilyloxy-7-[2-trimethylsilyloxy-5-(1-trimethylsilyloxyoctyl)cyclopentyl]heptanoate
PubChem CID599798
Molecular FormulaC30H64O5Si3
Molecular Weight589.10 g/mol
Exact Mass588.41
IUPAC Namemethyl 7-trimethylsilyloxy-7-[2-trimethylsilyloxy-5-(1-trimethylsilyloxyoctyl)cyclopentyl]heptanoate
SMILESCCCCCCCC(O[Si](C)(C)C)C1CCC(O[Si](C)(C)C)C1C(CCCCCC(=O)OC)O[Si](C)(C)C
InChIInChI=1S/C30H64O5Si3/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/h25-28,30H,12-24H2,1-11H3
InChIKeyOOJUEBLUTVMIET-UHFFFAOYSA-N
XLogP9.16
TPSA53.99 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds20
Heavy Atoms38
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500589.10
LogP ≤ 59.16
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'}

Analyze methyl 7-trimethylsilyloxy-7-[2-trimethylsilyloxy-5-(1-trimethylsilyloxyoctyl)cyclopentyl]heptanoate with MolForge

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Related Compounds

methyl 6-[(1S,2S,3R,5S)-3,5-bis[[tert-butyl(dimethyl)silyl]oxy]-2-(hydroxymethyl)cyclopentyl]hexanoate
CID 164667811
13,14-Dihydro-15-keto-PGF-1A, TMS
CID 91752938
Prostan-1-oic acid, 6,9-epoxy-11,15-bis[(trimethylsilyl)oxy]-, methyl ester, (15S)-
CID 582337
Methyl 5-(2-(3-oxooctyl)-3,5-bis[(trimethylsilyl)oxy]cyclopentyl)pentanoate
CID 612571
Methyl 3-(2-(3-oxooctyl)-3,5-bis[(trimethylsilyl)oxy]cyclopentyl)propanoate
CID 620294
Methyl 8-(2-(3-methoxy-3-oxopropyl)-3,5-bis[(trimethylsilyl)oxy]cyclopentyl)-6-oxooctanoate
CID 620295
Cyclopentaneheptanoic acid, 3,5-dihydroxy-2-[(trimethylsiloxy)methyl]-, methyl ester, diacetate
CID 628211
methyl (1R,2S,3R,4S)-4-[tert-butyl(dimethyl)silyl]oxy-3-[[tert-butyl(dimethyl)silyl]oxymethyl]-2-methylcyclopentane-1-carboxylate
CID 11015241
methyl 2-[(1R,2S,3S,5R)-2-propyl-3,5-bis(trimethylsilyloxy)cyclopentyl]acetate
CID 101834150
methyl 2-[(1R,2R,3S,5R)-2-(7-methoxyheptyl)-3,5-bis(trimethylsilyloxy)cyclopentyl]acetate
CID 101834154
methyl 7-[(1R,2R)-3,5-bis[[tert-butyl(dimethyl)silyl]oxy]-2-(3-oxopropyl)cyclopentyl]heptanoate
CID 11307071
methyl 7-[(1R,2R,3R,5S)-3,5-bis[[tert-butyl(dimethyl)silyl]oxy]-2-(3-oxopropyl)cyclopentyl]heptanoate
CID 12016389

Frequently Asked Questions

What is the IUPAC name of methyl 7-trimethylsilyloxy-7-[2-trimethylsilyloxy-5-(1-trimethylsilyloxyoctyl)cyclopentyl]heptanoate?
The IUPAC name of methyl 7-trimethylsilyloxy-7-[2-trimethylsilyloxy-5-(1-trimethylsilyloxyoctyl)cyclopentyl]heptanoate (CID 599798) is methyl 7-trimethylsilyloxy-7-[2-trimethylsilyloxy-5-(1-trimethylsilyloxyoctyl)cyclopentyl]heptanoate.
What is the SMILES notation for methyl 7-trimethylsilyloxy-7-[2-trimethylsilyloxy-5-(1-trimethylsilyloxyoctyl)cyclopentyl]heptanoate?
The canonical SMILES for methyl 7-trimethylsilyloxy-7-[2-trimethylsilyloxy-5-(1-trimethylsilyloxyoctyl)cyclopentyl]heptanoate is CCCCCCCC(O[Si](C)(C)C)C1CCC(O[Si](C)(C)C)C1C(CCCCCC(=O)OC)O[Si](C)(C)C.
What is the InChIKey of methyl 7-trimethylsilyloxy-7-[2-trimethylsilyloxy-5-(1-trimethylsilyloxyoctyl)cyclopentyl]heptanoate?
The InChIKey is OOJUEBLUTVMIET-UHFFFAOYSA-N. The full InChI is InChI=1S/C30H64O5Si3/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/h25-28,30H,12-24H2,1-11H3.
What are the key properties of methyl 7-trimethylsilyloxy-7-[2-trimethylsilyloxy-5-(1-trimethylsilyloxyoctyl)cyclopentyl]heptanoate?
methyl 7-trimethylsilyloxy-7-[2-trimethylsilyloxy-5-(1-trimethylsilyloxyoctyl)cyclopentyl]heptanoate has a molecular weight of 589.10 g/mol, XLogP of 9.16, 20 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for methyl 7-trimethylsilyloxy-7-[2-trimethylsilyloxy-5-(1-trimethylsilyloxyoctyl)cyclopentyl]heptanoate is sourced from PubChem (CID 599798), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).