2,3-dimethylbutan-2-yl 2-methylbutanoate;2-methylbutan-2-yl 2-methylbutanoate;3-methylpentan-3-yl 2-methylbutanoate;2,2,3,4,4-pentamethylpentan-3-yl 2-methylbutanoate;2,3,3-trimethylbutan-2-yl 2-methylbutanoate;2,3,4-trimethylpentan-3-yl 2-methylbutanoate;hexakis(yttrium)

C72H138O12Y6-6 — CID 159690444

IUPAC2,3-dimethylbutan-2-yl 2-methylbutanoate;2-methylbutan-2-yl 2-methylbutanoate;3-methylpentan-3-yl 2-methylbutanoate;2,2,3,4,4-pentamethylpentan-3-yl 2-methylbutanoate;2,3,3-trimethylbutan-2-yl 2-methylbutanoate;2,3,4-trimethylpentan-3-yl 2-methylbutanoate;hexakis(yttrium)
SMILESCC[C-](C)C(=O)OC(C)(C(C)(C)C)C(C)(C)C.CC[C-](C)C(=O)OC(C)(C(C)C)C(C)C.CC[C-](C)C(=O)OC(C)(C)C(C)(C)C.CC[C-](C)C(=O)OC(C)(C)C(C)C.CC[C-](C)C(=O)OC(C)(C)CC.CC[C-](C)C(=O)OC(C)(CC)CC.[Y].[Y].[Y].[Y].[Y].[Y]
InChIInChI=1S/C15H29O2.C13H25O2.C12H23O2.2C11H21O2.C10H19O2.6Y/c1-10-11(2)12(16)17-15(9,13(3,4)5)14(6,7)8;1-8-11(6)12(14)15-13(7,9(2)3)10(4)5;1-8-9(2)10(13)14-12(6,7)11(3,4)5;1-7-9(4)10(12)13-11(5,6)8(2)3;1-6-9(4)10(12)13-11(5,7-2)8-3;1-6-8(3)9(11)12-10(4,5)7-2;;;;;;/h10H2,1-9H3;9-10H,8H2,1-7H3;8H2,1-7H3;8H,7H2,1-6H3;6-8H2,1-5H3;6-7H2,1-5H3;;;;;;/q6*-1;;;;;;
InChIKeyYPXGPSOZHANOEC-UHFFFAOYSA-N
MW1729.32 g/mol
LogP20.14
Rot. Bonds24

About 2,3-dimethylbutan-2-yl 2-methylbutanoate;2-methylbutan-2-yl 2-methylbutanoate;3-methylpentan-3-yl 2-methylbutanoate;2,2,3,4,4-pentamethylpentan-3-yl 2-methylbutanoate;2,3,3-trimethylbutan-2-yl 2-methylbutanoate;2,3,4-trimethylpentan-3-yl 2-methylbutanoate;hexakis(yttrium)

2,3-dimethylbutan-2-yl 2-methylbutanoate;2-methylbutan-2-yl 2-methylbutanoate;3-methylpentan-3-yl 2-methylbutanoate;2,2,3,4,4-pentamethylpentan-3-yl 2-methylbutanoate;2,3,3-trimethylbutan-2-yl 2-methylbutanoate;2,3,4-trimethylpentan-3-yl 2-methylbutanoate;hexakis(yttrium) (PubChem CID 159690444) has the molecular formula C72H138O12Y6-6 and a molecular weight of 1729.32 g/mol. Its IUPAC name is 2,3-dimethylbutan-2-yl 2-methylbutanoate;2-methylbutan-2-yl 2-methylbutanoate;3-methylpentan-3-yl 2-methylbutanoate;2,2,3,4,4-pentamethylpentan-3-yl 2-methylbutanoate;2,3,3-trimethylbutan-2-yl 2-methylbutanoate;2,3,4-trimethylpentan-3-yl 2-methylbutanoate;hexakis(yttrium).

Molecular Properties

Compound Name2,3-dimethylbutan-2-yl 2-methylbutanoate;2-methylbutan-2-yl 2-methylbutanoate;3-methylpentan-3-yl 2-methylbutanoate;2,2,3,4,4-pentamethylpentan-3-yl 2-methylbutanoate;2,3,3-trimethylbutan-2-yl 2-methylbutanoate;2,3,4-trimethylpentan-3-yl 2-methylbutanoate;hexakis(yttrium)
PubChem CID159690444
Molecular FormulaC72H138O12Y6-6
Molecular Weight1729.32 g/mol
Exact Mass1728.46
IUPAC Name2,3-dimethylbutan-2-yl 2-methylbutanoate;2-methylbutan-2-yl 2-methylbutanoate;3-methylpentan-3-yl 2-methylbutanoate;2,2,3,4,4-pentamethylpentan-3-yl 2-methylbutanoate;2,3,3-trimethylbutan-2-yl 2-methylbutanoate;2,3,4-trimethylpentan-3-yl 2-methylbutanoate;hexakis(yttrium)
SMILESCC[C-](C)C(=O)OC(C)(C(C)(C)C)C(C)(C)C.CC[C-](C)C(=O)OC(C)(C(C)C)C(C)C.CC[C-](C)C(=O)OC(C)(C)C(C)(C)C.CC[C-](C)C(=O)OC(C)(C)C(C)C.CC[C-](C)C(=O)OC(C)(C)CC.CC[C-](C)C(=O)OC(C)(CC)CC.[Y].[Y].[Y].[Y].[Y].[Y]
InChIInChI=1S/C15H29O2.C13H25O2.C12H23O2.2C11H21O2.C10H19O2.6Y/c1-10-11(2)12(16)17-15(9,13(3,4)5)14(6,7)8;1-8-11(6)12(14)15-13(7,9(2)3)10(4)5;1-8-9(2)10(13)14-12(6,7)11(3,4)5;1-7-9(4)10(12)13-11(5,6)8(2)3;1-6-9(4)10(12)13-11(5,7-2)8-3;1-6-8(3)9(11)12-10(4,5)7-2;;;;;;/h10H2,1-9H3;9-10H,8H2,1-7H3;8H2,1-7H3;8H,7H2,1-6H3;6-8H2,1-5H3;6-7H2,1-5H3;;;;;;/q6*-1;;;;;;
InChIKeyYPXGPSOZHANOEC-UHFFFAOYSA-N
XLogP20.14
TPSA157.80 Ų
H-Bond Donors
H-Bond Acceptors12
Rotatable Bonds24
Heavy Atoms90
Complexity—

Lipinski Rule of Five

3 violations

RuleValue
MW ≤ 5001729.32
LogP ≤ 520.14
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 1012

Computed Properties (RDKit)

Structural Alerts{'alert_name': '>_2_ester_groups', 'substructure': 'N/A'}, {'alert_name': 'Carbo_cation/anion', 'substructure': 'N/A'}

Analyze 2,3-dimethylbutan-2-yl 2-methylbutanoate;2-methylbutan-2-yl 2-methylbutanoate;3-methylpentan-3-yl 2-methylbutanoate;2,2,3,4,4-pentamethylpentan-3-yl 2-methylbutanoate;2,3,3-trimethylbutan-2-yl 2-methylbutanoate;2,3,4-trimethylpentan-3-yl 2-methylbutanoate;hexakis(yttrium) with MolForge

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Related Compounds

2,3-dimethylbutan-2-yl 2-methylbutanoate;yttrium(3+)
CID 18731035
2,4,6-trimethylheptan-4-yl 2-methylbutanoate;yttrium
CID 59965814
2-methylbutan-2-yl 2-chloropropanoate
CID 523714
3-methylpentan-3-yl 2-methylpropanoate
CID 59491986
bis(2-methylbutan-2-yl) 2-aminopropanedioate
CID 141226339
bis(3-methylpentan-3-yl) butanedioate
CID 141267008
2-methylbutan-2-yl carbonochloridate
CID 15051328
2-aminobutan-2-yl (2S)-2-amino-3-methylbutanoate
CID 139681730
3-methylpentan-3-yl 2,2-dimethylbutanoate
CID 22895611
methoxycarbonyl 2-methylbutan-2-yl carbonate
CID 170252146
3-methylbutan-2-yl 2,3,3-trimethylbutan-2-yl carbonate
CID 134605657
3-methylpentan-3-yl N-(2-methylbutan-2-yl)carbamate
CID 88972316

Frequently Asked Questions

What is the IUPAC name of 2,3-dimethylbutan-2-yl 2-methylbutanoate;2-methylbutan-2-yl 2-methylbutanoate;3-methylpentan-3-yl 2-methylbutanoate;2,2,3,4,4-pentamethylpentan-3-yl 2-methylbutanoate;2,3,3-trimethylbutan-2-yl 2-methylbutanoate;2,3,4-trimethylpentan-3-yl 2-methylbutanoate;hexakis(yttrium)?
The IUPAC name of 2,3-dimethylbutan-2-yl 2-methylbutanoate;2-methylbutan-2-yl 2-methylbutanoate;3-methylpentan-3-yl 2-methylbutanoate;2,2,3,4,4-pentamethylpentan-3-yl 2-methylbutanoate;2,3,3-trimethylbutan-2-yl 2-methylbutanoate;2,3,4-trimethylpentan-3-yl 2-methylbutanoate;hexakis(yttrium) (CID 159690444) is 2,3-dimethylbutan-2-yl 2-methylbutanoate;2-methylbutan-2-yl 2-methylbutanoate;3-methylpentan-3-yl 2-methylbutanoate;2,2,3,4,4-pentamethylpentan-3-yl 2-methylbutanoate;2,3,3-trimethylbutan-2-yl 2-methylbutanoate;2,3,4-trimethylpentan-3-yl 2-methylbutanoate;hexakis(yttrium).
What is the SMILES notation for 2,3-dimethylbutan-2-yl 2-methylbutanoate;2-methylbutan-2-yl 2-methylbutanoate;3-methylpentan-3-yl 2-methylbutanoate;2,2,3,4,4-pentamethylpentan-3-yl 2-methylbutanoate;2,3,3-trimethylbutan-2-yl 2-methylbutanoate;2,3,4-trimethylpentan-3-yl 2-methylbutanoate;hexakis(yttrium)?
The canonical SMILES for 2,3-dimethylbutan-2-yl 2-methylbutanoate;2-methylbutan-2-yl 2-methylbutanoate;3-methylpentan-3-yl 2-methylbutanoate;2,2,3,4,4-pentamethylpentan-3-yl 2-methylbutanoate;2,3,3-trimethylbutan-2-yl 2-methylbutanoate;2,3,4-trimethylpentan-3-yl 2-methylbutanoate;hexakis(yttrium) is CC[C-](C)C(=O)OC(C)(C(C)(C)C)C(C)(C)C.CC[C-](C)C(=O)OC(C)(C(C)C)C(C)C.CC[C-](C)C(=O)OC(C)(C)C(C)(C)C.CC[C-](C)C(=O)OC(C)(C)C(C)C.CC[C-](C)C(=O)OC(C)(C)CC.CC[C-](C)C(=O)OC(C)(CC)CC.[Y].[Y].[Y].[Y].[Y].[Y].
What is the InChIKey of 2,3-dimethylbutan-2-yl 2-methylbutanoate;2-methylbutan-2-yl 2-methylbutanoate;3-methylpentan-3-yl 2-methylbutanoate;2,2,3,4,4-pentamethylpentan-3-yl 2-methylbutanoate;2,3,3-trimethylbutan-2-yl 2-methylbutanoate;2,3,4-trimethylpentan-3-yl 2-methylbutanoate;hexakis(yttrium)?
The InChIKey is YPXGPSOZHANOEC-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H29O2.C13H25O2.C12H23O2.2C11H21O2.C10H19O2.6Y/c1-10-11(2)12(16)17-15(9,13(3,4)5)14(6,7)8;1-8-11(6)12(14)15-13(7,9(2)3)10(4)5;1-8-9(2)10(13)14-12(6,7)11(3,4)5;1-7-9(4)10(12)13-11(5,6)8(2)3;1-6-9(4)10(12)13-11(5,7-2)8-3;1-6-8(3)9(11)12-10(4,5)7-2;;;;;;/h10H2,1-9H3;9-10H,8H2,1-7H3;8H2,1-7H3;8H,7H2,1-6H3;6-8H2,1-5H3;6-7H2,1-5H3;;;;;;/q6*-1;;;;;;.
What are the key properties of 2,3-dimethylbutan-2-yl 2-methylbutanoate;2-methylbutan-2-yl 2-methylbutanoate;3-methylpentan-3-yl 2-methylbutanoate;2,2,3,4,4-pentamethylpentan-3-yl 2-methylbutanoate;2,3,3-trimethylbutan-2-yl 2-methylbutanoate;2,3,4-trimethylpentan-3-yl 2-methylbutanoate;hexakis(yttrium)?
2,3-dimethylbutan-2-yl 2-methylbutanoate;2-methylbutan-2-yl 2-methylbutanoate;3-methylpentan-3-yl 2-methylbutanoate;2,2,3,4,4-pentamethylpentan-3-yl 2-methylbutanoate;2,3,3-trimethylbutan-2-yl 2-methylbutanoate;2,3,4-trimethylpentan-3-yl 2-methylbutanoate;hexakis(yttrium) has a molecular weight of 1729.32 g/mol, XLogP of 20.14, 24 rotatable bonds, 0 hydrogen bond donors, and 12 hydrogen bond acceptors.
Where does this data come from?
All data for 2,3-dimethylbutan-2-yl 2-methylbutanoate;2-methylbutan-2-yl 2-methylbutanoate;3-methylpentan-3-yl 2-methylbutanoate;2,2,3,4,4-pentamethylpentan-3-yl 2-methylbutanoate;2,3,3-trimethylbutan-2-yl 2-methylbutanoate;2,3,4-trimethylpentan-3-yl 2-methylbutanoate;hexakis(yttrium) is sourced from PubChem (CID 159690444), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).