methyl 7-[3,5-diacetyloxy-2-(trimethylsilyloxymethyl)cyclopentyl]heptanoate

C21H38O7Si — CID 628211

IUPACmethyl 7-[3,5-diacetyloxy-2-(trimethylsilyloxymethyl)cyclopentyl]heptanoate
SMILESCOC(=O)CCCCCCC1C(OC(C)=O)CC(OC(C)=O)C1CO[Si](C)(C)C
InChIInChI=1S/C21H38O7Si/c1-15(22)27-19-13-20(28-16(2)23)18(14-26-29(4,5)6)17(19)11-9-7-8-10-12-21(24)25-3/h17-20H,7-14H2,1-6H3
InChIKeyMEVXZRQRPDPQNJ-UHFFFAOYSA-N
MW430.61 g/mol
LogP3.85
Rot. Bonds12

About methyl 7-[3,5-diacetyloxy-2-(trimethylsilyloxymethyl)cyclopentyl]heptanoate

methyl 7-[3,5-diacetyloxy-2-(trimethylsilyloxymethyl)cyclopentyl]heptanoate (PubChem CID 628211) has the molecular formula C21H38O7Si and a molecular weight of 430.61 g/mol. Its IUPAC name is methyl 7-[3,5-diacetyloxy-2-(trimethylsilyloxymethyl)cyclopentyl]heptanoate.

Molecular Properties

Compound Namemethyl 7-[3,5-diacetyloxy-2-(trimethylsilyloxymethyl)cyclopentyl]heptanoate
PubChem CID628211
Molecular FormulaC21H38O7Si
Molecular Weight430.61 g/mol
Exact Mass430.24
IUPAC Namemethyl 7-[3,5-diacetyloxy-2-(trimethylsilyloxymethyl)cyclopentyl]heptanoate
SMILESCOC(=O)CCCCCCC1C(OC(C)=O)CC(OC(C)=O)C1CO[Si](C)(C)C
InChIInChI=1S/C21H38O7Si/c1-15(22)27-19-13-20(28-16(2)23)18(14-26-29(4,5)6)17(19)11-9-7-8-10-12-21(24)25-3/h17-20H,7-14H2,1-6H3
InChIKeyMEVXZRQRPDPQNJ-UHFFFAOYSA-N
XLogP3.85
TPSA88.13 Ų
H-Bond Donors
H-Bond Acceptors7
Rotatable Bonds12
Heavy Atoms29
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500430.61
LogP ≤ 53.85
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 107

Computed Properties (RDKit)

Structural Alerts{'alert_name': '>_2_ester_groups', 'substructure': 'N/A'}, {'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}, {'alert_name': 'heavy_metal', 'substructure': 'N/A'}

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Related Compounds

Cyclopentanepropanoic acid, 3,5-bis(acetyloxy)-2-[3,8-bis(acetyloxy)octyl]-, methyl ester
CID 629306
(1R,13R,14S,16R)-16-[tert-butyl(dimethyl)silyl]oxy-4-(1,1-difluoropentyl)-14-hydroxy-5-oxabicyclo[11.3.0]hexadecan-6-one
CID 173646448
(3AR,4S,5R,6AS)-5-((Tert-butyldimethylsilyl)oxy)-4-(((tert-butyldimethylsilyl)oxy)methyl)hexahydro-2H-cyclopenta[B]furan-2-one
CID 11795287
(3aR,4S,5R,6aS)-5-triethylsilyloxy-4-(triethylsilyloxymethyl)-3,3a,4,5,6,6a-hexahydrocyclopenta[b]furan-2-one
CID 14216160
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
Prostan-1-oic acid, 7,9,13-tris[(trimethylsilyl)oxy]-, methyl ester, (9alpha)-
CID 599798
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
7-[2-(Ethoxycarbonyl)-3alpha,5beta-dimethoxycyclopentyl-1]-heptanoic acid, ethyl ester
CID 624503

Frequently Asked Questions

What is the IUPAC name of methyl 7-[3,5-diacetyloxy-2-(trimethylsilyloxymethyl)cyclopentyl]heptanoate?
The IUPAC name of methyl 7-[3,5-diacetyloxy-2-(trimethylsilyloxymethyl)cyclopentyl]heptanoate (CID 628211) is methyl 7-[3,5-diacetyloxy-2-(trimethylsilyloxymethyl)cyclopentyl]heptanoate.
What is the SMILES notation for methyl 7-[3,5-diacetyloxy-2-(trimethylsilyloxymethyl)cyclopentyl]heptanoate?
The canonical SMILES for methyl 7-[3,5-diacetyloxy-2-(trimethylsilyloxymethyl)cyclopentyl]heptanoate is COC(=O)CCCCCCC1C(OC(C)=O)CC(OC(C)=O)C1CO[Si](C)(C)C.
What is the InChIKey of methyl 7-[3,5-diacetyloxy-2-(trimethylsilyloxymethyl)cyclopentyl]heptanoate?
The InChIKey is MEVXZRQRPDPQNJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H38O7Si/c1-15(22)27-19-13-20(28-16(2)23)18(14-26-29(4,5)6)17(19)11-9-7-8-10-12-21(24)25-3/h17-20H,7-14H2,1-6H3.
What are the key properties of methyl 7-[3,5-diacetyloxy-2-(trimethylsilyloxymethyl)cyclopentyl]heptanoate?
methyl 7-[3,5-diacetyloxy-2-(trimethylsilyloxymethyl)cyclopentyl]heptanoate has a molecular weight of 430.61 g/mol, XLogP of 3.85, 12 rotatable bonds, 0 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for methyl 7-[3,5-diacetyloxy-2-(trimethylsilyloxymethyl)cyclopentyl]heptanoate is sourced from PubChem (CID 628211), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).