methyl 7-[(1R,2R)-3,5-bis[[tert-butyl(dimethyl)silyl]oxy]-2-(4-oxobutyl)cyclopentyl]heptanoate;tungsten

C29H57O5Si2W- — CID 59734624

IUPACmethyl 7-[(1R,2R)-3,5-bis[[tert-butyl(dimethyl)silyl]oxy]-2-(4-oxobutyl)cyclopentyl]heptanoate;tungsten
SMILESCOC(=O)CCCCCC[C@H]1C(O[Si](C)(C)C(C)(C)C)CC(O[Si](C)(C)C(C)(C)C)[C@@H]1CCC[C-]=O.[W]
InChIInChI=1S/C29H57O5Si2.W/c1-28(2,3)35(8,9)33-25-22-26(34-36(10,11)29(4,5)6)24(19-16-17-21-30)23(25)18-14-12-13-15-20-27(31)32-7;/h23-26H,12-20,22H2,1-11H3;/q-1;/t23-,24-,25?,26?;/m1./s1
InChIKeyTUQXMQXMTXEQQR-FWFBVAELSA-N
MW725.78 g/mol
LogP8.19
Rot. Bonds15

About methyl 7-[(1R,2R)-3,5-bis[[tert-butyl(dimethyl)silyl]oxy]-2-(4-oxobutyl)cyclopentyl]heptanoate;tungsten

methyl 7-[(1R,2R)-3,5-bis[[tert-butyl(dimethyl)silyl]oxy]-2-(4-oxobutyl)cyclopentyl]heptanoate;tungsten (PubChem CID 59734624) has the molecular formula C29H57O5Si2W- and a molecular weight of 725.78 g/mol. Its IUPAC name is methyl 7-[(1R,2R)-3,5-bis[[tert-butyl(dimethyl)silyl]oxy]-2-(4-oxobutyl)cyclopentyl]heptanoate;tungsten.

Molecular Properties

Compound Namemethyl 7-[(1R,2R)-3,5-bis[[tert-butyl(dimethyl)silyl]oxy]-2-(4-oxobutyl)cyclopentyl]heptanoate;tungsten
PubChem CID59734624
Molecular FormulaC29H57O5Si2W-
Molecular Weight725.78 g/mol
Exact Mass725.33
IUPAC Namemethyl 7-[(1R,2R)-3,5-bis[[tert-butyl(dimethyl)silyl]oxy]-2-(4-oxobutyl)cyclopentyl]heptanoate;tungsten
SMILESCOC(=O)CCCCCC[C@H]1C(O[Si](C)(C)C(C)(C)C)CC(O[Si](C)(C)C(C)(C)C)[C@@H]1CCC[C-]=O.[W]
InChIInChI=1S/C29H57O5Si2.W/c1-28(2,3)35(8,9)33-25-22-26(34-36(10,11)29(4,5)6)24(19-16-17-21-30)23(25)18-14-12-13-15-20-27(31)32-7;/h23-26H,12-20,22H2,1-11H3;/q-1;/t23-,24-,25?,26?;/m1./s1
InChIKeyTUQXMQXMTXEQQR-FWFBVAELSA-N
XLogP8.19
TPSA61.83 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds15
Heavy Atoms37
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500725.78
LogP ≤ 58.19
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}, {'alert_name': 'Carbo_cation/anion', 'substructure': 'N/A'}, {'alert_name': 'heavy_metal', 'substructure': 'N/A'}

Analyze methyl 7-[(1R,2R)-3,5-bis[[tert-butyl(dimethyl)silyl]oxy]-2-(4-oxobutyl)cyclopentyl]heptanoate;tungsten with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Frequently Asked Questions

What is the IUPAC name of methyl 7-[(1R,2R)-3,5-bis[[tert-butyl(dimethyl)silyl]oxy]-2-(4-oxobutyl)cyclopentyl]heptanoate;tungsten?
The IUPAC name of methyl 7-[(1R,2R)-3,5-bis[[tert-butyl(dimethyl)silyl]oxy]-2-(4-oxobutyl)cyclopentyl]heptanoate;tungsten (CID 59734624) is methyl 7-[(1R,2R)-3,5-bis[[tert-butyl(dimethyl)silyl]oxy]-2-(4-oxobutyl)cyclopentyl]heptanoate;tungsten.
What is the SMILES notation for methyl 7-[(1R,2R)-3,5-bis[[tert-butyl(dimethyl)silyl]oxy]-2-(4-oxobutyl)cyclopentyl]heptanoate;tungsten?
The canonical SMILES for methyl 7-[(1R,2R)-3,5-bis[[tert-butyl(dimethyl)silyl]oxy]-2-(4-oxobutyl)cyclopentyl]heptanoate;tungsten is COC(=O)CCCCCC[C@H]1C(O[Si](C)(C)C(C)(C)C)CC(O[Si](C)(C)C(C)(C)C)[C@@H]1CCC[C-]=O.[W].
What is the InChIKey of methyl 7-[(1R,2R)-3,5-bis[[tert-butyl(dimethyl)silyl]oxy]-2-(4-oxobutyl)cyclopentyl]heptanoate;tungsten?
The InChIKey is TUQXMQXMTXEQQR-FWFBVAELSA-N. The full InChI is InChI=1S/C29H57O5Si2.W/c1-28(2,3)35(8,9)33-25-22-26(34-36(10,11)29(4,5)6)24(19-16-17-21-30)23(25)18-14-12-13-15-20-27(31)32-7;/h23-26H,12-20,22H2,1-11H3;/q-1;/t23-,24-,25?,26?;/m1./s1.
What are the key properties of methyl 7-[(1R,2R)-3,5-bis[[tert-butyl(dimethyl)silyl]oxy]-2-(4-oxobutyl)cyclopentyl]heptanoate;tungsten?
methyl 7-[(1R,2R)-3,5-bis[[tert-butyl(dimethyl)silyl]oxy]-2-(4-oxobutyl)cyclopentyl]heptanoate;tungsten has a molecular weight of 725.78 g/mol, XLogP of 8.19, 15 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for methyl 7-[(1R,2R)-3,5-bis[[tert-butyl(dimethyl)silyl]oxy]-2-(4-oxobutyl)cyclopentyl]heptanoate;tungsten is sourced from PubChem (CID 59734624), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).