2,3-dimethyl-2-[2-[(2-methylpropan-2-yl)oxy]ethyl]butanoic acid

C12H24O3 — CID 112590814

IUPAC2,3-dimethyl-2-[2-[(2-methylpropan-2-yl)oxy]ethyl]butanoic acid
SMILESCC(C)C(C)(CCOC(C)(C)C)C(=O)O
InChIInChI=1S/C12H24O3/c1-9(2)12(6,10(13)14)7-8-15-11(3,4)5/h9H,7-8H2,1-6H3,(H,13,14)
InChIKeyNBTVEZIPMPJABZ-UHFFFAOYSA-N
MW216.32 g/mol
LogP2.94
Rot. Bonds5

About 2,3-dimethyl-2-[2-[(2-methylpropan-2-yl)oxy]ethyl]butanoic acid

2,3-dimethyl-2-[2-[(2-methylpropan-2-yl)oxy]ethyl]butanoic acid (PubChem CID 112590814) has the molecular formula C12H24O3 and a molecular weight of 216.32 g/mol. Its IUPAC name is 2,3-dimethyl-2-[2-[(2-methylpropan-2-yl)oxy]ethyl]butanoic acid.

Molecular Properties

Compound Name2,3-dimethyl-2-[2-[(2-methylpropan-2-yl)oxy]ethyl]butanoic acid
PubChem CID112590814
Molecular FormulaC12H24O3
Molecular Weight216.32 g/mol
Exact Mass216.17
IUPAC Name2,3-dimethyl-2-[2-[(2-methylpropan-2-yl)oxy]ethyl]butanoic acid
SMILESCC(C)C(C)(CCOC(C)(C)C)C(=O)O
InChIInChI=1S/C12H24O3/c1-9(2)12(6,10(13)14)7-8-15-11(3,4)5/h9H,7-8H2,1-6H3,(H,13,14)
InChIKeyNBTVEZIPMPJABZ-UHFFFAOYSA-N
XLogP2.94
TPSA46.53 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds5
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500216.32
LogP ≤ 52.94
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

2-[2-(3-methoxypropoxy)ethyl]-2,3-dimethylbutanoic acid
CID 103181524
2-[2-[2-(2-butoxyethoxy)ethoxy]ethyl]-2,3-dimethylbutanoic acid
CID 104565073
[2-methyl-4-[(2-methylpropan-2-yl)oxy]butan-2-yl] hydrogen carbonate
CID 88896989
(2S)-2-methyl-4-[(2-methylpropan-2-yl)oxy]-4-oxo-2-propan-2-ylbutanoic acid
CID 159806764
6-hydroxy-2-methyl-2-propan-2-ylhexanoic acid
CID 83148671
8-hydroxy-2-methyl-2-propan-2-yloctanoic acid
CID 107704755
2-[2-[(2-methylpropan-2-yl)oxy]ethyl]-2-propan-2-ylpropane-1,3-diol
CID 112592507
2,3-dimethyl-2-[[(2-methylpropan-2-yl)oxycarbonylamino]methyl]butanoic acid
CID 106488784
3,3-dimethyl-1-[(2-methylpropan-2-yl)oxy]butane
CID 546092
2-(aminomethyl)-3-methyl-2-[2-[(2-methylpropan-2-yl)oxy]ethyl]butan-1-ol
CID 106507565
2-[(3,5-dimethylphenyl)methyl]-2,3-dimethylbutanoic acid
CID 83148791
N-[2-methyl-4-[(2-methylpropan-2-yl)oxy]butan-2-yl]acetamide
CID 123807188

Frequently Asked Questions

What is the IUPAC name of 2,3-dimethyl-2-[2-[(2-methylpropan-2-yl)oxy]ethyl]butanoic acid?
The IUPAC name of 2,3-dimethyl-2-[2-[(2-methylpropan-2-yl)oxy]ethyl]butanoic acid (CID 112590814) is 2,3-dimethyl-2-[2-[(2-methylpropan-2-yl)oxy]ethyl]butanoic acid.
What is the SMILES notation for 2,3-dimethyl-2-[2-[(2-methylpropan-2-yl)oxy]ethyl]butanoic acid?
The canonical SMILES for 2,3-dimethyl-2-[2-[(2-methylpropan-2-yl)oxy]ethyl]butanoic acid is CC(C)C(C)(CCOC(C)(C)C)C(=O)O.
What is the InChIKey of 2,3-dimethyl-2-[2-[(2-methylpropan-2-yl)oxy]ethyl]butanoic acid?
The InChIKey is NBTVEZIPMPJABZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H24O3/c1-9(2)12(6,10(13)14)7-8-15-11(3,4)5/h9H,7-8H2,1-6H3,(H,13,14).
What are the key properties of 2,3-dimethyl-2-[2-[(2-methylpropan-2-yl)oxy]ethyl]butanoic acid?
2,3-dimethyl-2-[2-[(2-methylpropan-2-yl)oxy]ethyl]butanoic acid has a molecular weight of 216.32 g/mol, XLogP of 2.94, 5 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2,3-dimethyl-2-[2-[(2-methylpropan-2-yl)oxy]ethyl]butanoic acid is sourced from PubChem (CID 112590814), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).