3,4,5,5-tetramethyl-3-propan-2-ylhexanoic acid;yttrium

C13H26O2Y — CID 161151978

IUPAC3,4,5,5-tetramethyl-3-propan-2-ylhexanoic acid;yttrium
SMILESCC(C)C(C)(CC(=O)O)C(C)C(C)(C)C.[Y]
InChIInChI=1S/C13H26O2.Y/c1-9(2)13(7,8-11(14)15)10(3)12(4,5)6;/h9-10H,8H2,1-7H3,(H,14,15);
InChIKeyUOUMGYZZMBALOO-UHFFFAOYSA-N
MW303.26 g/mol
LogP3.80
Rot. Bonds4

About 3,4,5,5-tetramethyl-3-propan-2-ylhexanoic acid;yttrium

3,4,5,5-tetramethyl-3-propan-2-ylhexanoic acid;yttrium (PubChem CID 161151978) has the molecular formula C13H26O2Y and a molecular weight of 303.26 g/mol. Its IUPAC name is 3,4,5,5-tetramethyl-3-propan-2-ylhexanoic acid;yttrium.

Molecular Properties

Compound Name3,4,5,5-tetramethyl-3-propan-2-ylhexanoic acid;yttrium
PubChem CID161151978
Molecular FormulaC13H26O2Y
Molecular Weight303.26 g/mol
Exact Mass303.10
IUPAC Name3,4,5,5-tetramethyl-3-propan-2-ylhexanoic acid;yttrium
SMILESCC(C)C(C)(CC(=O)O)C(C)C(C)(C)C.[Y]
InChIInChI=1S/C13H26O2.Y/c1-9(2)13(7,8-11(14)15)10(3)12(4,5)6;/h9-10H,8H2,1-7H3,(H,14,15);
InChIKeyUOUMGYZZMBALOO-UHFFFAOYSA-N
XLogP3.80
TPSA37.30 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds4
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500303.26
LogP ≤ 53.80
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 101

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Related Compounds

3-hydroxy-4,4-dimethyl-3-propan-2-ylpentanoic acid
CID 83697497
3-amino-3,4-dimethylpentanoic acid
CID 53414110
3,3-dimethylbutanoic acid;yttrium
CID 59798482
3,4,4,5-tetramethyl-3-propan-2-ylhexanoic acid
CID 175043512
3-(1-aminoethyl)-3,4-dimethylhexanoic acid
CID 66096869
3,3-dimethyl-2-propan-2-ylpentanedioic acid
CID 134364123
3,4-dimethyl-3-propan-2-ylpentanamide
CID 89429040
2,2-dimethylbutane;3,3-dimethylbutanoic acid;4,4-dimethylpentan-2-one;2,2,3-trimethylbutane
CID 160782233
(3R)-3-(tert-butylsulfinylamino)-3,4-dimethylpentanoic acid
CID 53487571
2-[3-methyl-2,2-di(propan-2-yl)butanoyl]oxypropane-1,2,3-tricarboxylic acid
CID 87719277
4-(dimethylamino)-3,3,5-trimethylhexanoic acid
CID 116908193
bis(3,3-dimethylbutanoic acid);hydrochloride
CID 172719072

Frequently Asked Questions

What is the IUPAC name of 3,4,5,5-tetramethyl-3-propan-2-ylhexanoic acid;yttrium?
The IUPAC name of 3,4,5,5-tetramethyl-3-propan-2-ylhexanoic acid;yttrium (CID 161151978) is 3,4,5,5-tetramethyl-3-propan-2-ylhexanoic acid;yttrium.
What is the SMILES notation for 3,4,5,5-tetramethyl-3-propan-2-ylhexanoic acid;yttrium?
The canonical SMILES for 3,4,5,5-tetramethyl-3-propan-2-ylhexanoic acid;yttrium is CC(C)C(C)(CC(=O)O)C(C)C(C)(C)C.[Y].
What is the InChIKey of 3,4,5,5-tetramethyl-3-propan-2-ylhexanoic acid;yttrium?
The InChIKey is UOUMGYZZMBALOO-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H26O2.Y/c1-9(2)13(7,8-11(14)15)10(3)12(4,5)6;/h9-10H,8H2,1-7H3,(H,14,15);.
What are the key properties of 3,4,5,5-tetramethyl-3-propan-2-ylhexanoic acid;yttrium?
3,4,5,5-tetramethyl-3-propan-2-ylhexanoic acid;yttrium has a molecular weight of 303.26 g/mol, XLogP of 3.80, 4 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 3,4,5,5-tetramethyl-3-propan-2-ylhexanoic acid;yttrium is sourced from PubChem (CID 161151978), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).