2,4-dimethylpentan-3-yl 2-hydroxy-2-methylpropanoate

C11H22O3 — CID 166505180

IUPAC2,4-dimethylpentan-3-yl 2-hydroxy-2-methylpropanoate
SMILESCC(C)C(OC(=O)C(C)(C)O)C(C)C
InChIInChI=1S/C11H22O3/c1-7(2)9(8(3)4)14-10(12)11(5,6)13/h7-9,13H,1-6H3
InChIKeyYLAQSRBPEMGTBK-UHFFFAOYSA-N
MW202.29 g/mol
LogP1.98
Rot. Bonds4

About 2,4-dimethylpentan-3-yl 2-hydroxy-2-methylpropanoate

2,4-dimethylpentan-3-yl 2-hydroxy-2-methylpropanoate (PubChem CID 166505180) has the molecular formula C11H22O3 and a molecular weight of 202.29 g/mol. Its IUPAC name is 2,4-dimethylpentan-3-yl 2-hydroxy-2-methylpropanoate.

Molecular Properties

Compound Name2,4-dimethylpentan-3-yl 2-hydroxy-2-methylpropanoate
PubChem CID166505180
Molecular FormulaC11H22O3
Molecular Weight202.29 g/mol
Exact Mass202.16
IUPAC Name2,4-dimethylpentan-3-yl 2-hydroxy-2-methylpropanoate
SMILESCC(C)C(OC(=O)C(C)(C)O)C(C)C
InChIInChI=1S/C11H22O3/c1-7(2)9(8(3)4)14-10(12)11(5,6)13/h7-9,13H,1-6H3
InChIKeyYLAQSRBPEMGTBK-UHFFFAOYSA-N
XLogP1.98
TPSA46.53 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500202.29
LogP ≤ 51.98
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

2,4-dimethylpentan-3-yl 2,2,3-trimethyl-3-sulfanylbutanoate
CID 129131659
2,4-dimethylpentan-3-yl 2-(dimethylamino)-2-methylpropanoate
CID 129131570
1-methoxyethyl 2-hydroxy-2-methylpropanoate
CID 175601186
2-hydroxy-2-methylpropanoic acid;propan-2-ol;propan-2-yl 2-hydroxy-2-methylpropanoate
CID 159782312
bis(2,4-dimethylpentan-3-yl) carbonate
CID 87168840
2,4-dimethylpentan-3-yl 2,2-dimethylbutanoate;heptan-4-yl 2,2-dimethylbutanoate
CID 90733921
2,4-dimethylpentan-3-yl methyl carbonate
CID 59320466
5-O-tert-butyl 1-O-(2,4-dimethylpentan-3-yl) (3S)-2,2-dimethyl-3-propan-2-ylpentanedioate
CID 102149121
2,4-dimethylpentan-3-yl 2,2-dimethylbutanoate;nonan-5-yl 2,2-dimethylbutanoate
CID 123270925
[(1S)-1-chloroethyl] 2,2-dimethylpropanoate
CID 92939031
2,4-dimethylpentan-3-yl propanoate;methane
CID 167541618
tris[(2-hydroxy-2-methylpropanoyl)oxy]stannyl 2-hydroxy-2-methylpropanoate
CID 162371791

Frequently Asked Questions

What is the IUPAC name of 2,4-dimethylpentan-3-yl 2-hydroxy-2-methylpropanoate?
The IUPAC name of 2,4-dimethylpentan-3-yl 2-hydroxy-2-methylpropanoate (CID 166505180) is 2,4-dimethylpentan-3-yl 2-hydroxy-2-methylpropanoate.
What is the SMILES notation for 2,4-dimethylpentan-3-yl 2-hydroxy-2-methylpropanoate?
The canonical SMILES for 2,4-dimethylpentan-3-yl 2-hydroxy-2-methylpropanoate is CC(C)C(OC(=O)C(C)(C)O)C(C)C.
What is the InChIKey of 2,4-dimethylpentan-3-yl 2-hydroxy-2-methylpropanoate?
The InChIKey is YLAQSRBPEMGTBK-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H22O3/c1-7(2)9(8(3)4)14-10(12)11(5,6)13/h7-9,13H,1-6H3.
What are the key properties of 2,4-dimethylpentan-3-yl 2-hydroxy-2-methylpropanoate?
2,4-dimethylpentan-3-yl 2-hydroxy-2-methylpropanoate has a molecular weight of 202.29 g/mol, XLogP of 1.98, 4 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2,4-dimethylpentan-3-yl 2-hydroxy-2-methylpropanoate is sourced from PubChem (CID 166505180), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).