2-(2-hydroxyethoxy)-2,3-dimethylpentanoic acid

C9H18O4 — CID 103377553

IUPAC2-(2-hydroxyethoxy)-2,3-dimethylpentanoic acid
SMILESCCC(C)C(C)(OCCO)C(=O)O
InChIInChI=1S/C9H18O4/c1-4-7(2)9(3,8(11)12)13-6-5-10/h7,10H,4-6H2,1-3H3,(H,11,12)
InChIKeyYFAYRDPVCVIQDG-UHFFFAOYSA-N
MW190.24 g/mol
LogP0.88
Rot. Bonds6

About 2-(2-hydroxyethoxy)-2,3-dimethylpentanoic acid

2-(2-hydroxyethoxy)-2,3-dimethylpentanoic acid (PubChem CID 103377553) has the molecular formula C9H18O4 and a molecular weight of 190.24 g/mol. Its IUPAC name is 2-(2-hydroxyethoxy)-2,3-dimethylpentanoic acid.

Molecular Properties

Compound Name2-(2-hydroxyethoxy)-2,3-dimethylpentanoic acid
PubChem CID103377553
Molecular FormulaC9H18O4
Molecular Weight190.24 g/mol
Exact Mass190.12
IUPAC Name2-(2-hydroxyethoxy)-2,3-dimethylpentanoic acid
SMILESCCC(C)C(C)(OCCO)C(=O)O
InChIInChI=1S/C9H18O4/c1-4-7(2)9(3,8(11)12)13-6-5-10/h7,10H,4-6H2,1-3H3,(H,11,12)
InChIKeyYFAYRDPVCVIQDG-UHFFFAOYSA-N
XLogP0.88
TPSA66.76 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500190.24
LogP ≤ 50.88
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 2-(2-hydroxyethoxy)-2,3-dimethylpentanoic acid?
The IUPAC name of 2-(2-hydroxyethoxy)-2,3-dimethylpentanoic acid (CID 103377553) is 2-(2-hydroxyethoxy)-2,3-dimethylpentanoic acid.
What is the SMILES notation for 2-(2-hydroxyethoxy)-2,3-dimethylpentanoic acid?
The canonical SMILES for 2-(2-hydroxyethoxy)-2,3-dimethylpentanoic acid is CCC(C)C(C)(OCCO)C(=O)O.
What is the InChIKey of 2-(2-hydroxyethoxy)-2,3-dimethylpentanoic acid?
The InChIKey is YFAYRDPVCVIQDG-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H18O4/c1-4-7(2)9(3,8(11)12)13-6-5-10/h7,10H,4-6H2,1-3H3,(H,11,12).
What are the key properties of 2-(2-hydroxyethoxy)-2,3-dimethylpentanoic acid?
2-(2-hydroxyethoxy)-2,3-dimethylpentanoic acid has a molecular weight of 190.24 g/mol, XLogP of 0.88, 6 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(2-hydroxyethoxy)-2,3-dimethylpentanoic acid is sourced from PubChem (CID 103377553), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).