4-hydroxy-4-methylpentan-2-one;methoxymethane

C8H18O3 — CID 87184803

IUPAC4-hydroxy-4-methylpentan-2-one;methoxymethane
SMILESCC(=O)CC(C)(C)O.COC
InChIInChI=1S/C6H12O2.C2H6O/c1-5(7)4-6(2,3)8;1-3-2/h8H,4H2,1-3H3;1-2H3
InChIKeySVPMASHLNWNIHQ-UHFFFAOYSA-N
MW162.23 g/mol
LogP1.00
Rot. Bonds2

About 4-hydroxy-4-methylpentan-2-one;methoxymethane

4-hydroxy-4-methylpentan-2-one;methoxymethane (PubChem CID 87184803) has the molecular formula C8H18O3 and a molecular weight of 162.23 g/mol. Its IUPAC name is 4-hydroxy-4-methylpentan-2-one;methoxymethane.

Molecular Properties

Compound Name4-hydroxy-4-methylpentan-2-one;methoxymethane
PubChem CID87184803
Molecular FormulaC8H18O3
Molecular Weight162.23 g/mol
Exact Mass162.13
IUPAC Name4-hydroxy-4-methylpentan-2-one;methoxymethane
SMILESCC(=O)CC(C)(C)O.COC
InChIInChI=1S/C6H12O2.C2H6O/c1-5(7)4-6(2,3)8;1-3-2/h8H,4H2,1-3H3;1-2H3
InChIKeySVPMASHLNWNIHQ-UHFFFAOYSA-N
XLogP1.00
TPSA46.53 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms11
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500162.23
LogP ≤ 51.00
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

4-hydroxy-4-methylpentan-2-one
CID 87257073
sodium;4-hydroxy-4-methylpentan-2-one;chloride
CID 174855512
acetic acid;4-hydroxy-4-methylpentan-2-one;methoxymethane;prop-1-ene
CID 173042209
ethyl acetate;4-hydroxy-4-methylpentan-2-one
CID 121334075
4,4,5,5-tetramethyloctane-2,7-dione
CID 28679
4-hydroxy-1-methoxy-4-methylpentan-2-one
CID 155286363
5-methoxy-4,4-dimethylpentan-2-one
CID 54387019
CID 159178711
CID 159178711
4,4-bis(2-oxopropyl)heptane-2,6-dione
CID 118031605
(4S)-5-bromo-4-hydroxy-4-methylpentan-2-one
CID 155123975
2-methyl-4-oxopentan-2-olate
CID 101443169
3-acetyl-3-methylhexane-2,5-dione
CID 12571378

Frequently Asked Questions

What is the IUPAC name of 4-hydroxy-4-methylpentan-2-one;methoxymethane?
The IUPAC name of 4-hydroxy-4-methylpentan-2-one;methoxymethane (CID 87184803) is 4-hydroxy-4-methylpentan-2-one;methoxymethane.
What is the SMILES notation for 4-hydroxy-4-methylpentan-2-one;methoxymethane?
The canonical SMILES for 4-hydroxy-4-methylpentan-2-one;methoxymethane is CC(=O)CC(C)(C)O.COC.
What is the InChIKey of 4-hydroxy-4-methylpentan-2-one;methoxymethane?
The InChIKey is SVPMASHLNWNIHQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C6H12O2.C2H6O/c1-5(7)4-6(2,3)8;1-3-2/h8H,4H2,1-3H3;1-2H3.
What are the key properties of 4-hydroxy-4-methylpentan-2-one;methoxymethane?
4-hydroxy-4-methylpentan-2-one;methoxymethane has a molecular weight of 162.23 g/mol, XLogP of 1.00, 2 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 4-hydroxy-4-methylpentan-2-one;methoxymethane is sourced from PubChem (CID 87184803), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).