methyl 2-[hydroxy(oxolan-2-yl)methyl]-3-methylbutanoate

C11H20O4 — CID 82837807

IUPACmethyl 2-[hydroxy(oxolan-2-yl)methyl]-3-methylbutanoate
SMILESCOC(=O)C(C(C)C)C(O)C1CCCO1
InChIInChI=1S/C11H20O4/c1-7(2)9(11(13)14-3)10(12)8-5-4-6-15-8/h7-10,12H,4-6H2,1-3H3
InChIKeyAELOKIHDZOWZLD-UHFFFAOYSA-N
MW216.28 g/mol
LogP0.97
Rot. Bonds4

About methyl 2-[hydroxy(oxolan-2-yl)methyl]-3-methylbutanoate

methyl 2-[hydroxy(oxolan-2-yl)methyl]-3-methylbutanoate (PubChem CID 82837807) has the molecular formula C11H20O4 and a molecular weight of 216.28 g/mol. Its IUPAC name is methyl 2-[hydroxy(oxolan-2-yl)methyl]-3-methylbutanoate.

Molecular Properties

Compound Namemethyl 2-[hydroxy(oxolan-2-yl)methyl]-3-methylbutanoate
PubChem CID82837807
Molecular FormulaC11H20O4
Molecular Weight216.28 g/mol
Exact Mass216.14
IUPAC Namemethyl 2-[hydroxy(oxolan-2-yl)methyl]-3-methylbutanoate
SMILESCOC(=O)C(C(C)C)C(O)C1CCCO1
InChIInChI=1S/C11H20O4/c1-7(2)9(11(13)14-3)10(12)8-5-4-6-15-8/h7-10,12H,4-6H2,1-3H3
InChIKeyAELOKIHDZOWZLD-UHFFFAOYSA-N
XLogP0.97
TPSA55.76 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500216.28
LogP ≤ 50.97
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

methyl (2S,3R)-2-hydroxy-3-[(2R)-oxolan-2-yl]butanoate
CID 10943229
1-(oxolan-2-yl)propane-1,2-diol
CID 142778097
4-hydroxy-3-methyl-4-(oxolan-2-yl)butan-2-one
CID 18338969
dimethyl 2-(oxolan-2-yl)butanedioate
CID 3877780
methyl 3-methyl-2-(oxolane-2-carbonylamino)butanoate
CID 19010953
N-[1-(oxolan-2-yl)ethyl]cyclopropanecarboxamide
CID 17330465
ethyl 2-[hydroxy(oxolan-2-yl)methyl]butanoate
CID 82837689
2-hydroxy-2-(oxolan-2-yl)acetamide
CID 82837458
methyl (2R)-4-methyl-2-[[(2R)-oxolane-2-carbonyl]amino]pentanoate
CID 51681555
methyl 4-methyl-2-[[(2R)-oxolane-2-carbonyl]amino]pentanoate
CID 103849887
methyl (2S)-4-methyl-2-[[(2R)-oxolane-2-carbonyl]amino]pentanoate
CID 51681554
[(1R)-1-[(2R)-oxolan-2-yl]ethyl] acetate
CID 14358346

Frequently Asked Questions

What is the IUPAC name of methyl 2-[hydroxy(oxolan-2-yl)methyl]-3-methylbutanoate?
The IUPAC name of methyl 2-[hydroxy(oxolan-2-yl)methyl]-3-methylbutanoate (CID 82837807) is methyl 2-[hydroxy(oxolan-2-yl)methyl]-3-methylbutanoate.
What is the SMILES notation for methyl 2-[hydroxy(oxolan-2-yl)methyl]-3-methylbutanoate?
The canonical SMILES for methyl 2-[hydroxy(oxolan-2-yl)methyl]-3-methylbutanoate is COC(=O)C(C(C)C)C(O)C1CCCO1.
What is the InChIKey of methyl 2-[hydroxy(oxolan-2-yl)methyl]-3-methylbutanoate?
The InChIKey is AELOKIHDZOWZLD-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H20O4/c1-7(2)9(11(13)14-3)10(12)8-5-4-6-15-8/h7-10,12H,4-6H2,1-3H3.
What are the key properties of methyl 2-[hydroxy(oxolan-2-yl)methyl]-3-methylbutanoate?
methyl 2-[hydroxy(oxolan-2-yl)methyl]-3-methylbutanoate has a molecular weight of 216.28 g/mol, XLogP of 0.97, 4 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for methyl 2-[hydroxy(oxolan-2-yl)methyl]-3-methylbutanoate is sourced from PubChem (CID 82837807), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).