methanol;2-methylpropanoic acid

C6H16O4 — CID 159214919

IUPACmethanol;2-methylpropanoic acid
SMILESCC(C)C(=O)O.CO.CO
InChIInChI=1S/C4H8O2.2CH4O/c1-3(2)4(5)6;2*1-2/h3H,1-2H3,(H,5,6);2*2H,1H3
InChIKeyKQYGQUCIHWJAMU-UHFFFAOYSA-N
MW152.19 g/mol
LogP-0.06
Rot. Bonds1

About methanol;2-methylpropanoic acid

methanol;2-methylpropanoic acid (PubChem CID 159214919) has the molecular formula C6H16O4 and a molecular weight of 152.19 g/mol. Its IUPAC name is methanol;2-methylpropanoic acid.

Molecular Properties

Compound Namemethanol;2-methylpropanoic acid
PubChem CID159214919
Molecular FormulaC6H16O4
Molecular Weight152.19 g/mol
Exact Mass152.10
IUPAC Namemethanol;2-methylpropanoic acid
SMILESCC(C)C(=O)O.CO.CO
InChIInChI=1S/C4H8O2.2CH4O/c1-3(2)4(5)6;2*1-2/h3H,1-2H3,(H,5,6);2*2H,1H3
InChIKeyKQYGQUCIHWJAMU-UHFFFAOYSA-N
XLogP-0.06
TPSA77.76 Ų
H-Bond Donors3
H-Bond Acceptors3
Rotatable Bonds1
Heavy Atoms10
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500152.19
LogP ≤ 5-0.06
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 103

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Related Compounds

2-methylpropanoic acid
CID 173073412
azane;2-methylpropanoic acid;hydrate
CID 161320294
alumane;2-methylpropanoic acid
CID 173068323
cerium;tris(2-methylpropanoic acid)
CID 153360547
2-methylpropanoic acid;ruthenium
CID 88674751
CID 161404788
CID 161404788
lithium;hydride;bis(2-methylpropanoic acid)
CID 175577602
dichloromethane;2-methylpropanoic acid
CID 161358956
2-methylpropanoic acid;sulfuric acid
CID 160710390
2-methylpropanoic acid;triiodovanadium
CID 158772262
(Z)-but-2-enedioic acid;2-methylpropanoic acid
CID 175222424
cyanamide;2-methylpropanoic acid
CID 172748410

Frequently Asked Questions

What is the IUPAC name of methanol;2-methylpropanoic acid?
The IUPAC name of methanol;2-methylpropanoic acid (CID 159214919) is methanol;2-methylpropanoic acid.
What is the SMILES notation for methanol;2-methylpropanoic acid?
The canonical SMILES for methanol;2-methylpropanoic acid is CC(C)C(=O)O.CO.CO.
What is the InChIKey of methanol;2-methylpropanoic acid?
The InChIKey is KQYGQUCIHWJAMU-UHFFFAOYSA-N. The full InChI is InChI=1S/C4H8O2.2CH4O/c1-3(2)4(5)6;2*1-2/h3H,1-2H3,(H,5,6);2*2H,1H3.
What are the key properties of methanol;2-methylpropanoic acid?
methanol;2-methylpropanoic acid has a molecular weight of 152.19 g/mol, XLogP of -0.06, 1 rotatable bonds, 3 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for methanol;2-methylpropanoic acid is sourced from PubChem (CID 159214919), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).