2,2,4-trimethyl-4-(oxan-2-yloxy)pentanoic acid

C13H24O4 — CID 167254183

IUPAC2,2,4-trimethyl-4-(oxan-2-yloxy)pentanoic acid
SMILESCC(C)(CC(C)(C)C(=O)O)OC1CCCCO1
InChIInChI=1S/C13H24O4/c1-12(2,11(14)15)9-13(3,4)17-10-7-5-6-8-16-10/h10H,5-9H2,1-4H3,(H,14,15)
InChIKeySGBFLLLSEJJZSK-UHFFFAOYSA-N
MW244.33 g/mol
LogP2.81
Rot. Bonds5

About 2,2,4-trimethyl-4-(oxan-2-yloxy)pentanoic acid

2,2,4-trimethyl-4-(oxan-2-yloxy)pentanoic acid (PubChem CID 167254183) has the molecular formula C13H24O4 and a molecular weight of 244.33 g/mol. Its IUPAC name is 2,2,4-trimethyl-4-(oxan-2-yloxy)pentanoic acid.

Molecular Properties

Compound Name2,2,4-trimethyl-4-(oxan-2-yloxy)pentanoic acid
PubChem CID167254183
Molecular FormulaC13H24O4
Molecular Weight244.33 g/mol
Exact Mass244.17
IUPAC Name2,2,4-trimethyl-4-(oxan-2-yloxy)pentanoic acid
SMILESCC(C)(CC(C)(C)C(=O)O)OC1CCCCO1
InChIInChI=1S/C13H24O4/c1-12(2,11(14)15)9-13(3,4)17-10-7-5-6-8-16-10/h10H,5-9H2,1-4H3,(H,14,15)
InChIKeySGBFLLLSEJJZSK-UHFFFAOYSA-N
XLogP2.81
TPSA55.76 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500244.33
LogP ≤ 52.81
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Analyze 2,2,4-trimethyl-4-(oxan-2-yloxy)pentanoic acid with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

2,2-difluoro-4-(oxan-2-yloxy)butanoic acid
CID 115034304
2-[2-(oxan-2-yloxy)propan-2-yloxy]oxane
CID 18680583
2-methyl-2-(oxan-2-yloxy)-1-phenylpropan-1-one
CID 22163386
2-(3-methylpentan-3-yl)-2-[2-(oxan-2-yloxy)ethyl]propanedioic acid
CID 70573615
2-methyl-2-(oxan-2-ylmethoxy)propanoic acid
CID 82238709
oxan-2-yl 2,2-dimethylpropanoate
CID 10679121
2-[2-(oxan-2-yloxy)ethylsulfanyl]acetic acid
CID 61369469
4-methoxy-2,4-dimethyl-2-(oxolan-2-ylmethylamino)pentanoic acid
CID 60990995
2-(oxan-2-yloxy)ethyl propaneperoxoate
CID 91031112
alumane;2-ethoxy-2-methoxy-2-(oxan-2-yl)acetic acid
CID 173211036
14-(oxan-2-yloxy)tetradecanoic acid
CID 54500619
3-(oxan-2-yloxy)butanoic acid
CID 14279636

Frequently Asked Questions

What is the IUPAC name of 2,2,4-trimethyl-4-(oxan-2-yloxy)pentanoic acid?
The IUPAC name of 2,2,4-trimethyl-4-(oxan-2-yloxy)pentanoic acid (CID 167254183) is 2,2,4-trimethyl-4-(oxan-2-yloxy)pentanoic acid.
What is the SMILES notation for 2,2,4-trimethyl-4-(oxan-2-yloxy)pentanoic acid?
The canonical SMILES for 2,2,4-trimethyl-4-(oxan-2-yloxy)pentanoic acid is CC(C)(CC(C)(C)C(=O)O)OC1CCCCO1.
What is the InChIKey of 2,2,4-trimethyl-4-(oxan-2-yloxy)pentanoic acid?
The InChIKey is SGBFLLLSEJJZSK-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H24O4/c1-12(2,11(14)15)9-13(3,4)17-10-7-5-6-8-16-10/h10H,5-9H2,1-4H3,(H,14,15).
What are the key properties of 2,2,4-trimethyl-4-(oxan-2-yloxy)pentanoic acid?
2,2,4-trimethyl-4-(oxan-2-yloxy)pentanoic acid has a molecular weight of 244.33 g/mol, XLogP of 2.81, 5 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2,2,4-trimethyl-4-(oxan-2-yloxy)pentanoic acid is sourced from PubChem (CID 167254183), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).