ethyl 2-hydroxy-2-methylpropanoate;pentanoic acid

C11H22O5 — CID 174950765

IUPACethyl 2-hydroxy-2-methylpropanoate;pentanoic acid
SMILESCCCCC(=O)O.CCOC(=O)C(C)(C)O
InChIInChI=1S/C6H12O3.C5H10O2/c1-4-9-5(7)6(2,3)8;1-2-3-4-5(6)7/h8H,4H2,1-3H3;2-4H2,1H3,(H,6,7)
InChIKeyNCHMGFSQTBJZTN-UHFFFAOYSA-N
MW234.29 g/mol
LogP1.58
Rot. Bonds5

About ethyl 2-hydroxy-2-methylpropanoate;pentanoic acid

ethyl 2-hydroxy-2-methylpropanoate;pentanoic acid (PubChem CID 174950765) has the molecular formula C11H22O5 and a molecular weight of 234.29 g/mol. Its IUPAC name is ethyl 2-hydroxy-2-methylpropanoate;pentanoic acid.

Molecular Properties

Compound Nameethyl 2-hydroxy-2-methylpropanoate;pentanoic acid
PubChem CID174950765
Molecular FormulaC11H22O5
Molecular Weight234.29 g/mol
Exact Mass234.15
IUPAC Nameethyl 2-hydroxy-2-methylpropanoate;pentanoic acid
SMILESCCCCC(=O)O.CCOC(=O)C(C)(C)O
InChIInChI=1S/C6H12O3.C5H10O2/c1-4-9-5(7)6(2,3)8;1-2-3-4-5(6)7/h8H,4H2,1-3H3;2-4H2,1H3,(H,6,7)
InChIKeyNCHMGFSQTBJZTN-UHFFFAOYSA-N
XLogP1.58
TPSA83.83 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500234.29
LogP ≤ 51.58
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Related Compounds

ethyl 2-hydroxy-2-methylpropanoate;3-hydroxypropanoic acid
CID 175314045
19-ethoxycarbonyl-19-octylheptacosanoic acid
CID 89462870
hexanoic acid;2-methylpropan-2-ol
CID 161308342
lanthanum;pentanoic acid
CID 88604988
CID 159436476
CID 159436476
pentanoic acid;silver
CID 87285302
ethane;pentanoic acid
CID 142198531
pentanoic acid;stannane
CID 173249748
9-ethoxycarbonyl-9-ethylpentadecanoic acid
CID 87133036
pentanoic acid;urea;hydrochloride
CID 174794672
hypochlorous acid;pentanoic acid
CID 157152267
icosane;pentanoic acid
CID 159151393

Frequently Asked Questions

What is the IUPAC name of ethyl 2-hydroxy-2-methylpropanoate;pentanoic acid?
The IUPAC name of ethyl 2-hydroxy-2-methylpropanoate;pentanoic acid (CID 174950765) is ethyl 2-hydroxy-2-methylpropanoate;pentanoic acid.
What is the SMILES notation for ethyl 2-hydroxy-2-methylpropanoate;pentanoic acid?
The canonical SMILES for ethyl 2-hydroxy-2-methylpropanoate;pentanoic acid is CCCCC(=O)O.CCOC(=O)C(C)(C)O.
What is the InChIKey of ethyl 2-hydroxy-2-methylpropanoate;pentanoic acid?
The InChIKey is NCHMGFSQTBJZTN-UHFFFAOYSA-N. The full InChI is InChI=1S/C6H12O3.C5H10O2/c1-4-9-5(7)6(2,3)8;1-2-3-4-5(6)7/h8H,4H2,1-3H3;2-4H2,1H3,(H,6,7).
What are the key properties of ethyl 2-hydroxy-2-methylpropanoate;pentanoic acid?
ethyl 2-hydroxy-2-methylpropanoate;pentanoic acid has a molecular weight of 234.29 g/mol, XLogP of 1.58, 5 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for ethyl 2-hydroxy-2-methylpropanoate;pentanoic acid is sourced from PubChem (CID 174950765), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).