methyl 2-hydroxy-3-methyl-2-(2,2,5,5-tetramethyloxolan-3-yl)butanoate

C14H26O4 — CID 79933585

IUPACmethyl 2-hydroxy-3-methyl-2-(2,2,5,5-tetramethyloxolan-3-yl)butanoate
SMILESCOC(=O)C(O)(C(C)C)C1CC(C)(C)OC1(C)C
InChIInChI=1S/C14H26O4/c1-9(2)14(16,11(15)17-7)10-8-12(3,4)18-13(10,5)6/h9-10,16H,8H2,1-7H3
InChIKeyQPRVYDJZYGXFLB-UHFFFAOYSA-N
MW258.36 g/mol
LogP2.14
Rot. Bonds3

About methyl 2-hydroxy-3-methyl-2-(2,2,5,5-tetramethyloxolan-3-yl)butanoate

methyl 2-hydroxy-3-methyl-2-(2,2,5,5-tetramethyloxolan-3-yl)butanoate (PubChem CID 79933585) has the molecular formula C14H26O4 and a molecular weight of 258.36 g/mol. Its IUPAC name is methyl 2-hydroxy-3-methyl-2-(2,2,5,5-tetramethyloxolan-3-yl)butanoate.

Molecular Properties

Compound Namemethyl 2-hydroxy-3-methyl-2-(2,2,5,5-tetramethyloxolan-3-yl)butanoate
PubChem CID79933585
Molecular FormulaC14H26O4
Molecular Weight258.36 g/mol
Exact Mass258.18
IUPAC Namemethyl 2-hydroxy-3-methyl-2-(2,2,5,5-tetramethyloxolan-3-yl)butanoate
SMILESCOC(=O)C(O)(C(C)C)C1CC(C)(C)OC1(C)C
InChIInChI=1S/C14H26O4/c1-9(2)14(16,11(15)17-7)10-8-12(3,4)18-13(10,5)6/h9-10,16H,8H2,1-7H3
InChIKeyQPRVYDJZYGXFLB-UHFFFAOYSA-N
XLogP2.14
TPSA55.76 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500258.36
LogP ≤ 52.14
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Analyze methyl 2-hydroxy-3-methyl-2-(2,2,5,5-tetramethyloxolan-3-yl)butanoate with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

1-methoxy-3-methyl-2-(2,2,5,5-tetramethyloxolan-3-yl)butan-2-ol
CID 114622133
1,1-dimethoxy-2-(2,2,5,5-tetramethyloxolan-3-yl)propan-2-ol
CID 114622105
2-methyl-3-(2,2,5,5-tetramethyloxolan-3-yl)pentan-3-amine
CID 114622277
2-fluoro-3-methyl-2-(2,2,5,5-tetramethyloxolan-3-yl)butan-1-amine
CID 114624518
4-(methylamino)-2-(2,2,5,5-tetramethyloxolan-3-yl)butan-2-ol
CID 114624355
2-(2,2,5,5-tetramethyloxolan-3-yl)propanoic acid
CID 79926968
methyl 3-(2,2,5,5-tetramethyloxolan-3-yl)sulfanylbutanoate
CID 114621054
methyl 2-[propan-2-yl-(2,2,5,5-tetramethyloxolan-3-yl)amino]acetate
CID 114623837
tert-butyl 2-amino-2-(2,2,5,5-tetramethyloxolan-3-yl)acetate
CID 114621457
2-[(2,2,5,5-tetramethyloxolan-3-yl)amino]propanamide
CID 79916589
2-hydroxy-1-(2,2,5,5-tetramethyloxolan-3-yl)propan-1-one
CID 103451300
N-ethyl-4-methyl-4-(2,2,5,5-tetramethyloxolan-3-yl)pentan-2-amine
CID 114624230

Frequently Asked Questions

What is the IUPAC name of methyl 2-hydroxy-3-methyl-2-(2,2,5,5-tetramethyloxolan-3-yl)butanoate?
The IUPAC name of methyl 2-hydroxy-3-methyl-2-(2,2,5,5-tetramethyloxolan-3-yl)butanoate (CID 79933585) is methyl 2-hydroxy-3-methyl-2-(2,2,5,5-tetramethyloxolan-3-yl)butanoate.
What is the SMILES notation for methyl 2-hydroxy-3-methyl-2-(2,2,5,5-tetramethyloxolan-3-yl)butanoate?
The canonical SMILES for methyl 2-hydroxy-3-methyl-2-(2,2,5,5-tetramethyloxolan-3-yl)butanoate is COC(=O)C(O)(C(C)C)C1CC(C)(C)OC1(C)C.
What is the InChIKey of methyl 2-hydroxy-3-methyl-2-(2,2,5,5-tetramethyloxolan-3-yl)butanoate?
The InChIKey is QPRVYDJZYGXFLB-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H26O4/c1-9(2)14(16,11(15)17-7)10-8-12(3,4)18-13(10,5)6/h9-10,16H,8H2,1-7H3.
What are the key properties of methyl 2-hydroxy-3-methyl-2-(2,2,5,5-tetramethyloxolan-3-yl)butanoate?
methyl 2-hydroxy-3-methyl-2-(2,2,5,5-tetramethyloxolan-3-yl)butanoate has a molecular weight of 258.36 g/mol, XLogP of 2.14, 3 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for methyl 2-hydroxy-3-methyl-2-(2,2,5,5-tetramethyloxolan-3-yl)butanoate is sourced from PubChem (CID 79933585), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).