methyl 2-hydroxy-4-methoxy-4-methylpentanoate

C8H16O4 — CID 106676209

IUPACmethyl 2-hydroxy-4-methoxy-4-methylpentanoate
SMILESCOC(=O)C(O)CC(C)(C)OC
InChIInChI=1S/C8H16O4/c1-8(2,12-4)5-6(9)7(10)11-3/h6,9H,5H2,1-4H3
InChIKeyAXEZJDTVWBVYIZ-UHFFFAOYSA-N
MW176.21 g/mol
LogP0.34
Rot. Bonds4

About methyl 2-hydroxy-4-methoxy-4-methylpentanoate

methyl 2-hydroxy-4-methoxy-4-methylpentanoate (PubChem CID 106676209) has the molecular formula C8H16O4 and a molecular weight of 176.21 g/mol. Its IUPAC name is methyl 2-hydroxy-4-methoxy-4-methylpentanoate.

Molecular Properties

Compound Namemethyl 2-hydroxy-4-methoxy-4-methylpentanoate
PubChem CID106676209
Molecular FormulaC8H16O4
Molecular Weight176.21 g/mol
Exact Mass176.10
IUPAC Namemethyl 2-hydroxy-4-methoxy-4-methylpentanoate
SMILESCOC(=O)C(O)CC(C)(C)OC
InChIInChI=1S/C8H16O4/c1-8(2,12-4)5-6(9)7(10)11-3/h6,9H,5H2,1-4H3
InChIKeyAXEZJDTVWBVYIZ-UHFFFAOYSA-N
XLogP0.34
TPSA55.76 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms12
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500176.21
LogP ≤ 50.34
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

Ethyl 2-hydroxy-4-methylpentanoate
CID 112030
(3S,4R,7R,8R,9S)-3,8-dihydroxy-4,7,9-trimethyl-1,5-dioxonane-2,6-dione
CID 168281174
Diethyl 2-hydroxy-4-methylpentanedioate
CID 14667297
(S)-2-hydroxypentanoic acid t-butyl ester
CID 12672712
Methyl 3-hydroxy-1-methoxycyclobutane-1-carboxylate
CID 137347052
3-Hydroxy-2-isopropyl-4-methoxy-4-oxobutanoate
CID 44176395
3-Hydroxy-2-isopropyl-4-methoxy-4-oxobutanoic acid
CID 44176396
Ethyl 2-hydroxy-4-methylvalerate, (2R)-
CID 10909860
(S)-(-)-Ethyl Leucate
CID 13237362
2,4-Dihydroxy-2-methylglutaric acid
CID 19897235
Methyl 4-(tert-butoxy)-2-hydroxybutanoate
CID 165624755
4-(Tert-butoxy)-2-hydroxybutanoic acid
CID 165844307

Frequently Asked Questions

What is the IUPAC name of methyl 2-hydroxy-4-methoxy-4-methylpentanoate?
The IUPAC name of methyl 2-hydroxy-4-methoxy-4-methylpentanoate (CID 106676209) is methyl 2-hydroxy-4-methoxy-4-methylpentanoate.
What is the SMILES notation for methyl 2-hydroxy-4-methoxy-4-methylpentanoate?
The canonical SMILES for methyl 2-hydroxy-4-methoxy-4-methylpentanoate is COC(=O)C(O)CC(C)(C)OC.
What is the InChIKey of methyl 2-hydroxy-4-methoxy-4-methylpentanoate?
The InChIKey is AXEZJDTVWBVYIZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H16O4/c1-8(2,12-4)5-6(9)7(10)11-3/h6,9H,5H2,1-4H3.
What are the key properties of methyl 2-hydroxy-4-methoxy-4-methylpentanoate?
methyl 2-hydroxy-4-methoxy-4-methylpentanoate has a molecular weight of 176.21 g/mol, XLogP of 0.34, 4 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for methyl 2-hydroxy-4-methoxy-4-methylpentanoate is sourced from PubChem (CID 106676209), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).