3-hydroxy-2-(hydroxymethyl)-2-methylpropanoic acid;methoxymethane

C7H16O5 — CID 87556675

IUPAC3-hydroxy-2-(hydroxymethyl)-2-methylpropanoic acid;methoxymethane
SMILESCC(CO)(CO)C(=O)O.COC
InChIInChI=1S/C5H10O4.C2H6O/c1-5(2-6,3-7)4(8)9;1-3-2/h6-7H,2-3H2,1H3,(H,8,9);1-2H3
InChIKeyFBUVVFZBLMQUJX-UHFFFAOYSA-N
MW180.20 g/mol
LogP-0.68
Rot. Bonds3

About 3-hydroxy-2-(hydroxymethyl)-2-methylpropanoic acid;methoxymethane

3-hydroxy-2-(hydroxymethyl)-2-methylpropanoic acid;methoxymethane (PubChem CID 87556675) has the molecular formula C7H16O5 and a molecular weight of 180.20 g/mol. Its IUPAC name is 3-hydroxy-2-(hydroxymethyl)-2-methylpropanoic acid;methoxymethane.

Molecular Properties

Compound Name3-hydroxy-2-(hydroxymethyl)-2-methylpropanoic acid;methoxymethane
PubChem CID87556675
Molecular FormulaC7H16O5
Molecular Weight180.20 g/mol
Exact Mass180.10
IUPAC Name3-hydroxy-2-(hydroxymethyl)-2-methylpropanoic acid;methoxymethane
SMILESCC(CO)(CO)C(=O)O.COC
InChIInChI=1S/C5H10O4.C2H6O/c1-5(2-6,3-7)4(8)9;1-3-2/h6-7H,2-3H2,1H3,(H,8,9);1-2H3
InChIKeyFBUVVFZBLMQUJX-UHFFFAOYSA-N
XLogP-0.68
TPSA86.99 Ų
H-Bond Donors3
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms12
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500180.20
LogP ≤ 5-0.68
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 104

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Related Compounds

cobalt;3-hydroxy-2-(hydroxymethyl)-2-methylpropanoic acid
CID 174867740
3-hydroxy-2-(hydroxymethyl)-2-methylpropanoic acid;silver
CID 87183667
N,N-dimethylpropan-2-amine;3-hydroxy-2-(hydroxymethyl)-2-methylpropanoic acid;methoxymethane;propanoic acid
CID 173066530
(2S)-2-(hydroxymethyl)-2-methylbutanoic acid
CID 124539750
(2-carboxy-1-hydroxypropan-2-yl)azanium
CID 163480089
2-[[2-carboxy-3-[2-carboxy-3-[2-carboxy-3-[2-carboxy-3-[2-carboxy-3-[2-carboxy-3-[2-carboxy-3-[2-carboxy-3-[2-carboxy-3-[2-carboxy-3-[2-carboxy-3-[2-carboxy-3-[2-carboxy-3-[2-carboxy-3-[2-carboxy-3-[2-carboxy-3-[2-carboxy-3-[2-carboxy-3-[2-carboxy-3-[2-carboxy-3-[2-carboxy-3-[2-carboxy-3-[2-carboxy-3-(2-carboxy-3-methoxy-2-methylpropyl)peroxy-2-methylpropyl]peroxy-2-methylpropyl]peroxy-2-methylpropyl]peroxy-2-methylpropyl]peroxy-2-methylpropyl]peroxy-2-methylpropyl]peroxy-2-methylpropyl]peroxy-2-methylpropyl]peroxy-2-methylpropyl]peroxy-2-methylpropyl]peroxy-2-methylpropyl]peroxy-2-methylpropyl]peroxy-2-methylpropyl]peroxy-2-methylpropyl]peroxy-2-methylpropyl]peroxy-2-methylpropyl]peroxy-2-methylpropyl]peroxy-2-methylpropyl]peroxy-2-methylpropyl]peroxy-2-methylpropyl]peroxy-2-methylpropyl]peroxy-2-methylpropyl]peroxy-2-methylpropyl]peroxymethyl]-3-methoxy-2-methylpropanoic acid
CID 58114775
2,2-bis(hydroxymethyl)propane-1,3-diol;hexanedioic acid;3-hydroxy-2-(hydroxymethyl)-2-methylpropanoic acid;octadecanoic acid
CID 86747076
2-hydroxyacetic acid;methoxymethane
CID 87581490
3-hydroxy-2,2-dimethylpropanoic acid;methyl 3-hydroxy-2,2-dimethylpropanoate
CID 159359764
3-hydroxy-2,2-dimethylpropanoic acid;silver
CID 87183588
2-(methoxymethyl)-2-methylpentanoic acid
CID 23056513
methyl 5-hydroxy-2-(hydroxymethyl)-2-methylpentanoate
CID 129202737

Frequently Asked Questions

What is the IUPAC name of 3-hydroxy-2-(hydroxymethyl)-2-methylpropanoic acid;methoxymethane?
The IUPAC name of 3-hydroxy-2-(hydroxymethyl)-2-methylpropanoic acid;methoxymethane (CID 87556675) is 3-hydroxy-2-(hydroxymethyl)-2-methylpropanoic acid;methoxymethane.
What is the SMILES notation for 3-hydroxy-2-(hydroxymethyl)-2-methylpropanoic acid;methoxymethane?
The canonical SMILES for 3-hydroxy-2-(hydroxymethyl)-2-methylpropanoic acid;methoxymethane is CC(CO)(CO)C(=O)O.COC.
What is the InChIKey of 3-hydroxy-2-(hydroxymethyl)-2-methylpropanoic acid;methoxymethane?
The InChIKey is FBUVVFZBLMQUJX-UHFFFAOYSA-N. The full InChI is InChI=1S/C5H10O4.C2H6O/c1-5(2-6,3-7)4(8)9;1-3-2/h6-7H,2-3H2,1H3,(H,8,9);1-2H3.
What are the key properties of 3-hydroxy-2-(hydroxymethyl)-2-methylpropanoic acid;methoxymethane?
3-hydroxy-2-(hydroxymethyl)-2-methylpropanoic acid;methoxymethane has a molecular weight of 180.20 g/mol, XLogP of -0.68, 3 rotatable bonds, 3 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 3-hydroxy-2-(hydroxymethyl)-2-methylpropanoic acid;methoxymethane is sourced from PubChem (CID 87556675), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).