propan-2-yl 2-hydroxy-2-methylpropanoate

C7H14O3 — CID 23424266

IUPACpropan-2-yl 2-hydroxy-2-methylpropanoate
SMILESCC(C)OC(=O)C(C)(C)O
InChIInChI=1S/C7H14O3/c1-5(2)10-6(8)7(3,4)9/h5,9H,1-4H3
InChIKeyUTNKPINVMZDAHQ-UHFFFAOYSA-N
MW146.19 g/mol
LogP0.71
Rot. Bonds2

About propan-2-yl 2-hydroxy-2-methylpropanoate

propan-2-yl 2-hydroxy-2-methylpropanoate (PubChem CID 23424266) has the molecular formula C7H14O3 and a molecular weight of 146.19 g/mol. Its IUPAC name is propan-2-yl 2-hydroxy-2-methylpropanoate.

Molecular Properties

Compound Namepropan-2-yl 2-hydroxy-2-methylpropanoate
PubChem CID23424266
Molecular FormulaC7H14O3
Molecular Weight146.19 g/mol
Exact Mass146.09
IUPAC Namepropan-2-yl 2-hydroxy-2-methylpropanoate
SMILESCC(C)OC(=O)C(C)(C)O
InChIInChI=1S/C7H14O3/c1-5(2)10-6(8)7(3,4)9/h5,9H,1-4H3
InChIKeyUTNKPINVMZDAHQ-UHFFFAOYSA-N
XLogP0.71
TPSA46.53 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms10
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500146.19
LogP ≤ 50.71
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

Ethyl Lactate
CID 7344
Butyl Lactate
CID 8738
Methyl Lactate
CID 11040
(L)-ethyl lactate
CID 92831
Propyl lactate, (+-)-
CID 92821
Methyl alpha-hydroxyisobutyrate
CID 75024
Butyl lactate, (S)-
CID 6999977
methyl (S)-lactate
CID 94386
2-Methylpropyl 2-hydroxypropanoate
CID 92814
Ethyl 2-hydroxyisobutyrate
CID 6653
Ethyl 2-hydroxy-2-methylbutyrate
CID 101536
Propanoic acid, 2-hydroxy-, 1-methylpropyl ester
CID 86741

Frequently Asked Questions

What is the IUPAC name of propan-2-yl 2-hydroxy-2-methylpropanoate?
The IUPAC name of propan-2-yl 2-hydroxy-2-methylpropanoate (CID 23424266) is propan-2-yl 2-hydroxy-2-methylpropanoate.
What is the SMILES notation for propan-2-yl 2-hydroxy-2-methylpropanoate?
The canonical SMILES for propan-2-yl 2-hydroxy-2-methylpropanoate is CC(C)OC(=O)C(C)(C)O.
What is the InChIKey of propan-2-yl 2-hydroxy-2-methylpropanoate?
The InChIKey is UTNKPINVMZDAHQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C7H14O3/c1-5(2)10-6(8)7(3,4)9/h5,9H,1-4H3.
What are the key properties of propan-2-yl 2-hydroxy-2-methylpropanoate?
propan-2-yl 2-hydroxy-2-methylpropanoate has a molecular weight of 146.19 g/mol, XLogP of 0.71, 2 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for propan-2-yl 2-hydroxy-2-methylpropanoate is sourced from PubChem (CID 23424266), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).