[2-methyl-6-(2-oxopropyl)oxan-4-yl] acetate

C11H18O4 — CID 10846291

IUPAC[2-methyl-6-(2-oxopropyl)oxan-4-yl] acetate
SMILESCC(=O)CC1CC(OC(C)=O)CC(C)O1
InChIInChI=1S/C11H18O4/c1-7(12)4-10-6-11(15-9(3)13)5-8(2)14-10/h8,10-11H,4-6H2,1-3H3
InChIKeyORHXYSFLJMXCNY-UHFFFAOYSA-N
MW214.26 g/mol
LogP1.46
Rot. Bonds3

About [2-methyl-6-(2-oxopropyl)oxan-4-yl] acetate

[2-methyl-6-(2-oxopropyl)oxan-4-yl] acetate (PubChem CID 10846291) has the molecular formula C11H18O4 and a molecular weight of 214.26 g/mol. Its IUPAC name is [2-methyl-6-(2-oxopropyl)oxan-4-yl] acetate.

Molecular Properties

Compound Name[2-methyl-6-(2-oxopropyl)oxan-4-yl] acetate
PubChem CID10846291
Molecular FormulaC11H18O4
Molecular Weight214.26 g/mol
Exact Mass214.12
IUPAC Name[2-methyl-6-(2-oxopropyl)oxan-4-yl] acetate
SMILESCC(=O)CC1CC(OC(C)=O)CC(C)O1
InChIInChI=1S/C11H18O4/c1-7(12)4-10-6-11(15-9(3)13)5-8(2)14-10/h8,10-11H,4-6H2,1-3H3
InChIKeyORHXYSFLJMXCNY-UHFFFAOYSA-N
XLogP1.46
TPSA52.60 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500214.26
LogP ≤ 51.46
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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Related Compounds

[(2R,4R,6S)-2-[(E)-but-2-enyl]-6-methyloxan-4-yl] acetate
CID 10943794
1-[(2S,5R)-5-methyloxolan-2-yl]propan-2-one
CID 45085675
[3-(2-oxopropyl)cyclopentyl] acetate
CID 71394247
CID 88574739
CID 88574739
[2-methoxy-6-(methoxymethyl)oxan-4-yl] acetate
CID 129275610
[2-(fluoromethyl)-6-propoxyoxan-4-yl] acetate
CID 166546051
1-(oxiran-2-yl)propan-2-one
CID 15110788
[(1R,3S)-3-acetyloxy-5-bromocyclohexyl] acetate
CID 134901795
2-(4-amino-6-methyloxan-2-yl)acetic acid
CID 143247678
(9-hydroxy-2-methyl-10-oxooxecan-4-yl) acetate
CID 139610374
3-acetyloxy-2-[(4R,6S)-4-acetyloxy-6-(acetyloxymethyl)oxan-2-yl]propanoic acid
CID 142342543
(2,6-dimethyloxan-4-yl) (2R)-2-aminopentanoate
CID 107565799

Frequently Asked Questions

What is the IUPAC name of [2-methyl-6-(2-oxopropyl)oxan-4-yl] acetate?
The IUPAC name of [2-methyl-6-(2-oxopropyl)oxan-4-yl] acetate (CID 10846291) is [2-methyl-6-(2-oxopropyl)oxan-4-yl] acetate.
What is the SMILES notation for [2-methyl-6-(2-oxopropyl)oxan-4-yl] acetate?
The canonical SMILES for [2-methyl-6-(2-oxopropyl)oxan-4-yl] acetate is CC(=O)CC1CC(OC(C)=O)CC(C)O1.
What is the InChIKey of [2-methyl-6-(2-oxopropyl)oxan-4-yl] acetate?
The InChIKey is ORHXYSFLJMXCNY-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H18O4/c1-7(12)4-10-6-11(15-9(3)13)5-8(2)14-10/h8,10-11H,4-6H2,1-3H3.
What are the key properties of [2-methyl-6-(2-oxopropyl)oxan-4-yl] acetate?
[2-methyl-6-(2-oxopropyl)oxan-4-yl] acetate has a molecular weight of 214.26 g/mol, XLogP of 1.46, 3 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for [2-methyl-6-(2-oxopropyl)oxan-4-yl] acetate is sourced from PubChem (CID 10846291), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).