3,3-dimethyl-2-(2-propan-2-yloxyethyl)butanoic acid

C11H22O3 — CID 83138589

IUPAC3,3-dimethyl-2-(2-propan-2-yloxyethyl)butanoic acid
SMILESCC(C)OCCC(C(=O)O)C(C)(C)C
InChIInChI=1S/C11H22O3/c1-8(2)14-7-6-9(10(12)13)11(3,4)5/h8-9H,6-7H2,1-5H3,(H,12,13)
InChIKeyUJBHDNHTRHRQNQ-UHFFFAOYSA-N
MW202.29 g/mol
LogP2.55
Rot. Bonds5

About 3,3-dimethyl-2-(2-propan-2-yloxyethyl)butanoic acid

3,3-dimethyl-2-(2-propan-2-yloxyethyl)butanoic acid (PubChem CID 83138589) has the molecular formula C11H22O3 and a molecular weight of 202.29 g/mol. Its IUPAC name is 3,3-dimethyl-2-(2-propan-2-yloxyethyl)butanoic acid.

Molecular Properties

Compound Name3,3-dimethyl-2-(2-propan-2-yloxyethyl)butanoic acid
PubChem CID83138589
Molecular FormulaC11H22O3
Molecular Weight202.29 g/mol
Exact Mass202.16
IUPAC Name3,3-dimethyl-2-(2-propan-2-yloxyethyl)butanoic acid
SMILESCC(C)OCCC(C(=O)O)C(C)(C)C
InChIInChI=1S/C11H22O3/c1-8(2)14-7-6-9(10(12)13)11(3,4)5/h8-9H,6-7H2,1-5H3,(H,12,13)
InChIKeyUJBHDNHTRHRQNQ-UHFFFAOYSA-N
XLogP2.55
TPSA46.53 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds5
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500202.29
LogP ≤ 52.55
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

2-tert-butyl-5-hydroxyhexanoic acid
CID 22275994
3-oxo-2-(2-propan-2-yloxyethyl)butanoic acid
CID 57132762
3-amino-6-tert-butyl-2-methylheptanedioic acid
CID 87854459
2-[[(2S)-1-hydroxypropan-2-yl]oxymethyl]-3,3-dimethylbutanoic acid
CID 87350035
(2R)-2-ethyl-3,3-dimethylbutanoic acid
CID 87414884
3-methyl-2-(propan-2-yloxymethyl)butanoic acid
CID 12874289
2-carbamoyl-2-methyl-4-propan-2-yloxybutanoic acid
CID 114899712
2-(2-propan-2-yloxyethylsulfinyl)propanoic acid
CID 61482943
2-tert-butyl-6,6,6-trifluorohexanoic acid
CID 83137658
2-[2-(2-chloropyrimidin-5-yl)oxyethyl]-3,3-dimethylbutanoic acid
CID 174202346
2-[2-(2-methoxyphenoxy)ethyl]-3,3-dimethylbutanoic acid
CID 83136429
2-tert-butyl-11-iodoundecanoic acid
CID 88526895

Frequently Asked Questions

What is the IUPAC name of 3,3-dimethyl-2-(2-propan-2-yloxyethyl)butanoic acid?
The IUPAC name of 3,3-dimethyl-2-(2-propan-2-yloxyethyl)butanoic acid (CID 83138589) is 3,3-dimethyl-2-(2-propan-2-yloxyethyl)butanoic acid.
What is the SMILES notation for 3,3-dimethyl-2-(2-propan-2-yloxyethyl)butanoic acid?
The canonical SMILES for 3,3-dimethyl-2-(2-propan-2-yloxyethyl)butanoic acid is CC(C)OCCC(C(=O)O)C(C)(C)C.
What is the InChIKey of 3,3-dimethyl-2-(2-propan-2-yloxyethyl)butanoic acid?
The InChIKey is UJBHDNHTRHRQNQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H22O3/c1-8(2)14-7-6-9(10(12)13)11(3,4)5/h8-9H,6-7H2,1-5H3,(H,12,13).
What are the key properties of 3,3-dimethyl-2-(2-propan-2-yloxyethyl)butanoic acid?
3,3-dimethyl-2-(2-propan-2-yloxyethyl)butanoic acid has a molecular weight of 202.29 g/mol, XLogP of 2.55, 5 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 3,3-dimethyl-2-(2-propan-2-yloxyethyl)butanoic acid is sourced from PubChem (CID 83138589), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).