3-hexoxy-2,2-dimethylpropanoic acid

C11H22O3 — CID 79622011

IUPAC3-hexoxy-2,2-dimethylpropanoic acid
SMILESCCCCCCOCC(C)(C)C(=O)O
InChIInChI=1S/C11H22O3/c1-4-5-6-7-8-14-9-11(2,3)10(12)13/h4-9H2,1-3H3,(H,12,13)
InChIKeyAETHUAHUUBXUHD-UHFFFAOYSA-N
MW202.29 g/mol
LogP2.69
Rot. Bonds8

About 3-hexoxy-2,2-dimethylpropanoic acid

3-hexoxy-2,2-dimethylpropanoic acid (PubChem CID 79622011) has the molecular formula C11H22O3 and a molecular weight of 202.29 g/mol. Its IUPAC name is 3-hexoxy-2,2-dimethylpropanoic acid.

Molecular Properties

Compound Name3-hexoxy-2,2-dimethylpropanoic acid
PubChem CID79622011
Molecular FormulaC11H22O3
Molecular Weight202.29 g/mol
Exact Mass202.16
IUPAC Name3-hexoxy-2,2-dimethylpropanoic acid
SMILESCCCCCCOCC(C)(C)C(=O)O
InChIInChI=1S/C11H22O3/c1-4-5-6-7-8-14-9-11(2,3)10(12)13/h4-9H2,1-3H3,(H,12,13)
InChIKeyAETHUAHUUBXUHD-UHFFFAOYSA-N
XLogP2.69
TPSA46.53 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds8
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500202.29
LogP ≤ 52.69
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

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Related Compounds

4-[2-(2-butoxyethoxy)ethoxy]-2,2-dimethylbutanoic acid
CID 104565005
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CID 173362445
15-pentoxypentadecanoic acid
CID 89280169
1-decoxydocosane
CID 87077677
1-dodecoxyhexadecane
CID 22256973
1-heptoxydocosane
CID 91692957
1-(6-pentadecoxyhexoxy)pentadecane
CID 139884766
1-heptacosoxyheptacosane
CID 57287180
1-(6-octadecoxyhexoxy)octadecane
CID 139884769
1-(7-tetradecoxyheptoxy)tetradecane
CID 139884729
1-hexacosoxyhexacosane
CID 56611156

Frequently Asked Questions

What is the IUPAC name of 3-hexoxy-2,2-dimethylpropanoic acid?
The IUPAC name of 3-hexoxy-2,2-dimethylpropanoic acid (CID 79622011) is 3-hexoxy-2,2-dimethylpropanoic acid.
What is the SMILES notation for 3-hexoxy-2,2-dimethylpropanoic acid?
The canonical SMILES for 3-hexoxy-2,2-dimethylpropanoic acid is CCCCCCOCC(C)(C)C(=O)O.
What is the InChIKey of 3-hexoxy-2,2-dimethylpropanoic acid?
The InChIKey is AETHUAHUUBXUHD-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H22O3/c1-4-5-6-7-8-14-9-11(2,3)10(12)13/h4-9H2,1-3H3,(H,12,13).
What are the key properties of 3-hexoxy-2,2-dimethylpropanoic acid?
3-hexoxy-2,2-dimethylpropanoic acid has a molecular weight of 202.29 g/mol, XLogP of 2.69, 8 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 3-hexoxy-2,2-dimethylpropanoic acid is sourced from PubChem (CID 79622011), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).