methyl 5-hydroxy-2-(hydroxymethyl)-2-methylpentanoate

C8H16O4 — CID 129202737

IUPACmethyl 5-hydroxy-2-(hydroxymethyl)-2-methylpentanoate
SMILESCOC(=O)C(C)(CO)CCCO
InChIInChI=1S/C8H16O4/c1-8(6-10,4-3-5-9)7(11)12-2/h9-10H,3-6H2,1-2H3
InChIKeyCSUSNLNVMRAZLJ-UHFFFAOYSA-N
MW176.21 g/mol
LogP-0.07
Rot. Bonds5

About methyl 5-hydroxy-2-(hydroxymethyl)-2-methylpentanoate

methyl 5-hydroxy-2-(hydroxymethyl)-2-methylpentanoate (PubChem CID 129202737) has the molecular formula C8H16O4 and a molecular weight of 176.21 g/mol. Its IUPAC name is methyl 5-hydroxy-2-(hydroxymethyl)-2-methylpentanoate.

Molecular Properties

Compound Namemethyl 5-hydroxy-2-(hydroxymethyl)-2-methylpentanoate
PubChem CID129202737
Molecular FormulaC8H16O4
Molecular Weight176.21 g/mol
Exact Mass176.10
IUPAC Namemethyl 5-hydroxy-2-(hydroxymethyl)-2-methylpentanoate
SMILESCOC(=O)C(C)(CO)CCCO
InChIInChI=1S/C8H16O4/c1-8(6-10,4-3-5-9)7(11)12-2/h9-10H,3-6H2,1-2H3
InChIKeyCSUSNLNVMRAZLJ-UHFFFAOYSA-N
XLogP-0.07
TPSA66.76 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms12
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500176.21
LogP ≤ 5-0.07
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Related Compounds

methyl 2-amino-6-hydroxy-2-methylhexanoate
CID 88883524
methyl 2,2-diethyl-10-hydroxydecanoate
CID 154931124
ethyl (2S)-2-(hydroxymethyl)-2-methylhexanoate
CID 122399068
methyl 2-(hydroxymethyl)-2-methylpent-4-enoate
CID 18728417
methyl 7-hydroxy-4,4-dimethylheptanoate
CID 174794936
dimethyl 2-butyl-2,4,4-trimethylpentanedioate
CID 18710794
7-methoxy-7-methyloctan-1-ol
CID 175444354
5-hydroxy-2-(hydroxymethyl)-2-methylpentanoic acid;2-methylbutanoic acid
CID 175383809
methyl 2-(aminomethyl)-2,6-dimethylheptanoate
CID 106487907
5-(6-hydroxy-2-methylhexan-2-yl)oxy-5-methylhexan-1-ol
CID 142783625
3-hydroxy-2-(hydroxymethyl)-2-methylpropanoic acid;methoxymethane
CID 87556675
methyl 2-butyl-2-(hydroxymethyl)hexanoate
CID 175319412

Frequently Asked Questions

What is the IUPAC name of methyl 5-hydroxy-2-(hydroxymethyl)-2-methylpentanoate?
The IUPAC name of methyl 5-hydroxy-2-(hydroxymethyl)-2-methylpentanoate (CID 129202737) is methyl 5-hydroxy-2-(hydroxymethyl)-2-methylpentanoate.
What is the SMILES notation for methyl 5-hydroxy-2-(hydroxymethyl)-2-methylpentanoate?
The canonical SMILES for methyl 5-hydroxy-2-(hydroxymethyl)-2-methylpentanoate is COC(=O)C(C)(CO)CCCO.
What is the InChIKey of methyl 5-hydroxy-2-(hydroxymethyl)-2-methylpentanoate?
The InChIKey is CSUSNLNVMRAZLJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H16O4/c1-8(6-10,4-3-5-9)7(11)12-2/h9-10H,3-6H2,1-2H3.
What are the key properties of methyl 5-hydroxy-2-(hydroxymethyl)-2-methylpentanoate?
methyl 5-hydroxy-2-(hydroxymethyl)-2-methylpentanoate has a molecular weight of 176.21 g/mol, XLogP of -0.07, 5 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for methyl 5-hydroxy-2-(hydroxymethyl)-2-methylpentanoate is sourced from PubChem (CID 129202737), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).