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

C30H60O5Si2Y-2 — CID 59734609

IUPACcarbanide;methyl 7-[(1R,2R)-3,5-bis[[tert-butyl(dimethyl)silyl]oxy]-2-(4-oxobutyl)cyclopentyl]heptanoate;yttrium
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.[CH3-].[Y]
InChIInChI=1S/C29H57O5Si2.CH3.Y/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;1H3;/q2*-1;/t23-,24-,25?,26?;;/m1../s1
InChIKeyJROAWYJSSPUSFG-UPFRFBKKSA-N
MW645.88 g/mol
LogP8.64
Rot. Bonds15

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

carbanide;methyl 7-[(1R,2R)-3,5-bis[[tert-butyl(dimethyl)silyl]oxy]-2-(4-oxobutyl)cyclopentyl]heptanoate;yttrium (PubChem CID 59734609) has the molecular formula C30H60O5Si2Y-2 and a molecular weight of 645.88 g/mol. Its IUPAC name is carbanide;methyl 7-[(1R,2R)-3,5-bis[[tert-butyl(dimethyl)silyl]oxy]-2-(4-oxobutyl)cyclopentyl]heptanoate;yttrium.

Molecular Properties

Compound Namecarbanide;methyl 7-[(1R,2R)-3,5-bis[[tert-butyl(dimethyl)silyl]oxy]-2-(4-oxobutyl)cyclopentyl]heptanoate;yttrium
PubChem CID59734609
Molecular FormulaC30H60O5Si2Y-2
Molecular Weight645.88 g/mol
Exact Mass645.30
IUPAC Namecarbanide;methyl 7-[(1R,2R)-3,5-bis[[tert-butyl(dimethyl)silyl]oxy]-2-(4-oxobutyl)cyclopentyl]heptanoate;yttrium
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.[CH3-].[Y]
InChIInChI=1S/C29H57O5Si2.CH3.Y/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;1H3;/q2*-1;/t23-,24-,25?,26?;;/m1../s1
InChIKeyJROAWYJSSPUSFG-UPFRFBKKSA-N
XLogP8.64
TPSA61.83 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds15
Heavy Atoms38
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500645.88
LogP ≤ 58.64
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'}

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Frequently Asked Questions

What is the IUPAC name of carbanide;methyl 7-[(1R,2R)-3,5-bis[[tert-butyl(dimethyl)silyl]oxy]-2-(4-oxobutyl)cyclopentyl]heptanoate;yttrium?
The IUPAC name of carbanide;methyl 7-[(1R,2R)-3,5-bis[[tert-butyl(dimethyl)silyl]oxy]-2-(4-oxobutyl)cyclopentyl]heptanoate;yttrium (CID 59734609) is carbanide;methyl 7-[(1R,2R)-3,5-bis[[tert-butyl(dimethyl)silyl]oxy]-2-(4-oxobutyl)cyclopentyl]heptanoate;yttrium.
What is the SMILES notation for carbanide;methyl 7-[(1R,2R)-3,5-bis[[tert-butyl(dimethyl)silyl]oxy]-2-(4-oxobutyl)cyclopentyl]heptanoate;yttrium?
The canonical SMILES for carbanide;methyl 7-[(1R,2R)-3,5-bis[[tert-butyl(dimethyl)silyl]oxy]-2-(4-oxobutyl)cyclopentyl]heptanoate;yttrium 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.[CH3-].[Y].
What is the InChIKey of carbanide;methyl 7-[(1R,2R)-3,5-bis[[tert-butyl(dimethyl)silyl]oxy]-2-(4-oxobutyl)cyclopentyl]heptanoate;yttrium?
The InChIKey is JROAWYJSSPUSFG-UPFRFBKKSA-N. The full InChI is InChI=1S/C29H57O5Si2.CH3.Y/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;1H3;/q2*-1;/t23-,24-,25?,26?;;/m1../s1.
What are the key properties of carbanide;methyl 7-[(1R,2R)-3,5-bis[[tert-butyl(dimethyl)silyl]oxy]-2-(4-oxobutyl)cyclopentyl]heptanoate;yttrium?
carbanide;methyl 7-[(1R,2R)-3,5-bis[[tert-butyl(dimethyl)silyl]oxy]-2-(4-oxobutyl)cyclopentyl]heptanoate;yttrium has a molecular weight of 645.88 g/mol, XLogP of 8.64, 15 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for carbanide;methyl 7-[(1R,2R)-3,5-bis[[tert-butyl(dimethyl)silyl]oxy]-2-(4-oxobutyl)cyclopentyl]heptanoate;yttrium is sourced from PubChem (CID 59734609), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).