2-(2,2-dimethylpropyl)-3-methylbutanedioic acid;pentadecakis(yttrium)

C10H18O4Y15 — CID 161214648

IUPAC2-(2,2-dimethylpropyl)-3-methylbutanedioic acid;pentadecakis(yttrium)
SMILESCC(C(=O)O)C(CC(C)(C)C)C(=O)O.[Y].[Y].[Y].[Y].[Y].[Y].[Y].[Y].[Y].[Y].[Y].[Y].[Y].[Y].[Y]
InChIInChI=1S/C10H18O4.15Y/c1-6(8(11)12)7(9(13)14)5-10(2,3)4;;;;;;;;;;;;;;;/h6-7H,5H2,1-4H3,(H,11,12)(H,13,14);;;;;;;;;;;;;;;
InChIKeyCWMFIRRWKSGZKE-UHFFFAOYSA-N
MW1535.84 g/mol
LogP1.81
Rot. Bonds4

About 2-(2,2-dimethylpropyl)-3-methylbutanedioic acid;pentadecakis(yttrium)

2-(2,2-dimethylpropyl)-3-methylbutanedioic acid;pentadecakis(yttrium) (PubChem CID 161214648) has the molecular formula C10H18O4Y15 and a molecular weight of 1535.84 g/mol. Its IUPAC name is 2-(2,2-dimethylpropyl)-3-methylbutanedioic acid;pentadecakis(yttrium).

Molecular Properties

Compound Name2-(2,2-dimethylpropyl)-3-methylbutanedioic acid;pentadecakis(yttrium)
PubChem CID161214648
Molecular FormulaC10H18O4Y15
Molecular Weight1535.84 g/mol
Exact Mass1535.71
IUPAC Name2-(2,2-dimethylpropyl)-3-methylbutanedioic acid;pentadecakis(yttrium)
SMILESCC(C(=O)O)C(CC(C)(C)C)C(=O)O.[Y].[Y].[Y].[Y].[Y].[Y].[Y].[Y].[Y].[Y].[Y].[Y].[Y].[Y].[Y]
InChIInChI=1S/C10H18O4.15Y/c1-6(8(11)12)7(9(13)14)5-10(2,3)4;;;;;;;;;;;;;;;/h6-7H,5H2,1-4H3,(H,11,12)(H,13,14);;;;;;;;;;;;;;;
InChIKeyCWMFIRRWKSGZKE-UHFFFAOYSA-N
XLogP1.81
TPSA74.60 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms29
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 5001535.84
LogP ≤ 51.81
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

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Related Compounds

2,3-bis(4,4-dimethylpentan-2-yl)butanedioic acid
CID 151564398
bis(2,2-dimethylpropyl) 2,3-bis(2,2-dimethylpropyl)butanedioate
CID 22241877
4,4-dimethyl-2-(trifluoromethyl)pentanoic acid
CID 58559804
2-hydroxy-3,5,5-trimethylhexanoic acid
CID 83906054
(2R)-2-amino-3,5,5-trimethylhexanoic acid
CID 175049210
2,3,6,6-tetramethylheptanoic acid
CID 81009492
2-amino-4,4-dimethylpentanoic acid;chloromethane
CID 175588190
acetic acid;2,2,4-trimethylpentane;hydrate
CID 159555520
2-butyl-3-methylbutanedioic acid;gold
CID 174979510
2-but-2-ynyl-3-methylbutanedioic acid
CID 87880799
2-(1-iodoethyl)-4,4-dimethylpentanamide
CID 159720292
(2R)-2-isocyanato-4,4-dimethylpentanoic acid
CID 87772661

Frequently Asked Questions

What is the IUPAC name of 2-(2,2-dimethylpropyl)-3-methylbutanedioic acid;pentadecakis(yttrium)?
The IUPAC name of 2-(2,2-dimethylpropyl)-3-methylbutanedioic acid;pentadecakis(yttrium) (CID 161214648) is 2-(2,2-dimethylpropyl)-3-methylbutanedioic acid;pentadecakis(yttrium).
What is the SMILES notation for 2-(2,2-dimethylpropyl)-3-methylbutanedioic acid;pentadecakis(yttrium)?
The canonical SMILES for 2-(2,2-dimethylpropyl)-3-methylbutanedioic acid;pentadecakis(yttrium) is CC(C(=O)O)C(CC(C)(C)C)C(=O)O.[Y].[Y].[Y].[Y].[Y].[Y].[Y].[Y].[Y].[Y].[Y].[Y].[Y].[Y].[Y].
What is the InChIKey of 2-(2,2-dimethylpropyl)-3-methylbutanedioic acid;pentadecakis(yttrium)?
The InChIKey is CWMFIRRWKSGZKE-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H18O4.15Y/c1-6(8(11)12)7(9(13)14)5-10(2,3)4;;;;;;;;;;;;;;;/h6-7H,5H2,1-4H3,(H,11,12)(H,13,14);;;;;;;;;;;;;;;.
What are the key properties of 2-(2,2-dimethylpropyl)-3-methylbutanedioic acid;pentadecakis(yttrium)?
2-(2,2-dimethylpropyl)-3-methylbutanedioic acid;pentadecakis(yttrium) has a molecular weight of 1535.84 g/mol, XLogP of 1.81, 4 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(2,2-dimethylpropyl)-3-methylbutanedioic acid;pentadecakis(yttrium) is sourced from PubChem (CID 161214648), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).