2-hexoxy-2-methylpropanoic acid

C10H20O3 — CID 114989010

IUPAC2-hexoxy-2-methylpropanoic acid
SMILESCCCCCCOC(C)(C)C(=O)O
InChIInChI=1S/C10H20O3/c1-4-5-6-7-8-13-10(2,3)9(11)12/h4-8H2,1-3H3,(H,11,12)
InChIKeyRXNNPAKVVIKFKP-UHFFFAOYSA-N
MW188.27 g/mol
LogP2.45
Rot. Bonds7

About 2-hexoxy-2-methylpropanoic acid

2-hexoxy-2-methylpropanoic acid (PubChem CID 114989010) has the molecular formula C10H20O3 and a molecular weight of 188.27 g/mol. Its IUPAC name is 2-hexoxy-2-methylpropanoic acid.

Molecular Properties

Compound Name2-hexoxy-2-methylpropanoic acid
PubChem CID114989010
Molecular FormulaC10H20O3
Molecular Weight188.27 g/mol
Exact Mass188.14
IUPAC Name2-hexoxy-2-methylpropanoic acid
SMILESCCCCCCOC(C)(C)C(=O)O
InChIInChI=1S/C10H20O3/c1-4-5-6-7-8-13-10(2,3)9(11)12/h4-8H2,1-3H3,(H,11,12)
InChIKeyRXNNPAKVVIKFKP-UHFFFAOYSA-N
XLogP2.45
TPSA46.53 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds7
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500188.27
LogP ≤ 52.45
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}

Analyze 2-hexoxy-2-methylpropanoic 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-didecoxypropanoic acid
CID 101272673
3-hexoxy-3-methylbutan-2-one
CID 164846460
2-methyl-2-nonadecoxybutanoic acid
CID 88680932
2-heptoxy-2-methylbutanoic acid
CID 19807820
2-dodecoxy-2-methyltetradecanoic acid
CID 88959462
2-decoxy-2-ethylbutanoic acid
CID 138578040
2-dodecoxy-2-sulfopropanoic acid
CID 174750625
3-hexoxy-2,2-dimethylpropanoic acid
CID 79622011
4-hydroxy-2-methyl-2-octadecoxypentanoic acid
CID 88607524
3,3-dipentoxybutan-2-one
CID 163406006
azane;2-dodecoxypropan-2-ol
CID 87960511
2-hexoxy-2-octylbutanedioic acid
CID 54422145

Frequently Asked Questions

What is the IUPAC name of 2-hexoxy-2-methylpropanoic acid?
The IUPAC name of 2-hexoxy-2-methylpropanoic acid (CID 114989010) is 2-hexoxy-2-methylpropanoic acid.
What is the SMILES notation for 2-hexoxy-2-methylpropanoic acid?
The canonical SMILES for 2-hexoxy-2-methylpropanoic acid is CCCCCCOC(C)(C)C(=O)O.
What is the InChIKey of 2-hexoxy-2-methylpropanoic acid?
The InChIKey is RXNNPAKVVIKFKP-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H20O3/c1-4-5-6-7-8-13-10(2,3)9(11)12/h4-8H2,1-3H3,(H,11,12).
What are the key properties of 2-hexoxy-2-methylpropanoic acid?
2-hexoxy-2-methylpropanoic acid has a molecular weight of 188.27 g/mol, XLogP of 2.45, 7 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-hexoxy-2-methylpropanoic acid is sourced from PubChem (CID 114989010), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).