(2-hydroxy-2-methylpropyl) 2,2-dimethylpropanoate

C9H18O3 — CID 10583373

IUPAC(2-hydroxy-2-methylpropyl) 2,2-dimethylpropanoate
SMILESCC(C)(O)COC(=O)C(C)(C)C
InChIInChI=1S/C9H18O3/c1-8(2,3)7(10)12-6-9(4,5)11/h11H,6H2,1-5H3
InChIKeyGEHNHFWMLPEVAG-UHFFFAOYSA-N
MW174.24 g/mol
LogP1.35
Rot. Bonds2

About (2-hydroxy-2-methylpropyl) 2,2-dimethylpropanoate

(2-hydroxy-2-methylpropyl) 2,2-dimethylpropanoate (PubChem CID 10583373) has the molecular formula C9H18O3 and a molecular weight of 174.24 g/mol. Its IUPAC name is (2-hydroxy-2-methylpropyl) 2,2-dimethylpropanoate.

Molecular Properties

Compound Name(2-hydroxy-2-methylpropyl) 2,2-dimethylpropanoate
PubChem CID10583373
Molecular FormulaC9H18O3
Molecular Weight174.24 g/mol
Exact Mass174.13
IUPAC Name(2-hydroxy-2-methylpropyl) 2,2-dimethylpropanoate
SMILESCC(C)(O)COC(=O)C(C)(C)C
InChIInChI=1S/C9H18O3/c1-8(2,3)7(10)12-6-9(4,5)11/h11H,6H2,1-5H3
InChIKeyGEHNHFWMLPEVAG-UHFFFAOYSA-N
XLogP1.35
TPSA46.53 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms12
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500174.24
LogP ≤ 51.35
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

(3-ethoxy-2-hydroxy-2-methyl-3-oxopropyl) 2,2-dimethylpropanoate
CID 58354404
ethyl 2,2-dimethylpropanoate;hydrochloride
CID 141019550
carbamic acid;2,2-dimethylpropyl 2,2-dimethylpropanoate
CID 175568582
(3-chloro-2,2-dimethyl-3-oxopropyl) 2,2-dimethylpropanoate
CID 123416365
diethyl 2-(2,2-dimethylpropanoyloxymethyl)-2-ethylpropanedioate
CID 88990098
(2,2-difluoro-2-methylsulfonylethyl) 2,2-dimethylpropanoate
CID 143779600
2-(2,2-dimethylpropanoyloxy)-1,1-difluoroethanesulfinic acid
CID 58112903
ethyl 2,2-dimethylpropanoate;2-oxopropanoic acid
CID 157432719
(3,3-dimethyl-2-oxobutyl) 2,2-dimethylpropanoate
CID 10035882
azidomethane;ethyl 2,2-dimethylpropanoate;phosphane
CID 161474918
ethoxycarbonyloxymethyl 2,2-dimethylpropanoate
CID 153463655
2-aminooxyethyl 2,2-dimethylpropanoate
CID 130209024

Frequently Asked Questions

What is the IUPAC name of (2-hydroxy-2-methylpropyl) 2,2-dimethylpropanoate?
The IUPAC name of (2-hydroxy-2-methylpropyl) 2,2-dimethylpropanoate (CID 10583373) is (2-hydroxy-2-methylpropyl) 2,2-dimethylpropanoate.
What is the SMILES notation for (2-hydroxy-2-methylpropyl) 2,2-dimethylpropanoate?
The canonical SMILES for (2-hydroxy-2-methylpropyl) 2,2-dimethylpropanoate is CC(C)(O)COC(=O)C(C)(C)C.
What is the InChIKey of (2-hydroxy-2-methylpropyl) 2,2-dimethylpropanoate?
The InChIKey is GEHNHFWMLPEVAG-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H18O3/c1-8(2,3)7(10)12-6-9(4,5)11/h11H,6H2,1-5H3.
What are the key properties of (2-hydroxy-2-methylpropyl) 2,2-dimethylpropanoate?
(2-hydroxy-2-methylpropyl) 2,2-dimethylpropanoate has a molecular weight of 174.24 g/mol, XLogP of 1.35, 2 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for (2-hydroxy-2-methylpropyl) 2,2-dimethylpropanoate is sourced from PubChem (CID 10583373), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).