5-(ethoxymethyl)-5-methyloxolan-2-one

C8H14O3 — CID 103439717

IUPAC5-(ethoxymethyl)-5-methyloxolan-2-one
SMILESCCOCC1(C)CCC(=O)O1
InChIInChI=1S/C8H14O3/c1-3-10-6-8(2)5-4-7(9)11-8/h3-6H2,1-2H3
InChIKeyWHYNYHDFXKIICI-UHFFFAOYSA-N
MW158.20 g/mol
LogP1.12
Rot. Bonds3

About 5-(ethoxymethyl)-5-methyloxolan-2-one

5-(ethoxymethyl)-5-methyloxolan-2-one (PubChem CID 103439717) has the molecular formula C8H14O3 and a molecular weight of 158.20 g/mol. Its IUPAC name is 5-(ethoxymethyl)-5-methyloxolan-2-one.

Molecular Properties

Compound Name5-(ethoxymethyl)-5-methyloxolan-2-one
PubChem CID103439717
Molecular FormulaC8H14O3
Molecular Weight158.20 g/mol
Exact Mass158.09
IUPAC Name5-(ethoxymethyl)-5-methyloxolan-2-one
SMILESCCOCC1(C)CCC(=O)O1
InChIInChI=1S/C8H14O3/c1-3-10-6-8(2)5-4-7(9)11-8/h3-6H2,1-2H3
InChIKeyWHYNYHDFXKIICI-UHFFFAOYSA-N
XLogP1.12
TPSA35.53 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms11
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500158.20
LogP ≤ 51.12
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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Related Compounds

5-methyl-5-(2-trimethylsilylethyl)oxolan-2-one
CID 10987279
5-methyl-5-prop-2-ynyloxolan-2-one
CID 13357607
methyl 2-(2-methyl-5-oxooxolan-2-yl)acetate
CID 14542737
5-[(Z)-hex-3-enyl]-5-methyloxolan-2-one
CID 11332852
5-(2-hydroxy-2-methylpropyl)-5-methyloxolan-2-one
CID 174285026
5-(cyclobutylmethyl)-5-methyloxolan-2-one
CID 103439680
2-ethoxy-5-oxooxolane-2-carboxamide
CID 91082721
5-[2-[4-(difluoromethoxy)phenyl]ethyl]-5-methyloxolan-2-one
CID 103439890
(6R)-6-(hydroxymethyl)-6-methyloxan-2-one
CID 129388764
5-(ethoxymethyl)-5-methyl-1,3-dioxan-2-one
CID 14071555
(6S)-6-(hydroxymethyl)-6-methyloxan-2-one
CID 14165937
2,3,5-trimethyl-6-[2-(2-methyl-5-oxooxolan-2-yl)ethyl]cyclohexa-2,5-diene-1,4-dione
CID 3081993

Frequently Asked Questions

What is the IUPAC name of 5-(ethoxymethyl)-5-methyloxolan-2-one?
The IUPAC name of 5-(ethoxymethyl)-5-methyloxolan-2-one (CID 103439717) is 5-(ethoxymethyl)-5-methyloxolan-2-one.
What is the SMILES notation for 5-(ethoxymethyl)-5-methyloxolan-2-one?
The canonical SMILES for 5-(ethoxymethyl)-5-methyloxolan-2-one is CCOCC1(C)CCC(=O)O1.
What is the InChIKey of 5-(ethoxymethyl)-5-methyloxolan-2-one?
The InChIKey is WHYNYHDFXKIICI-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H14O3/c1-3-10-6-8(2)5-4-7(9)11-8/h3-6H2,1-2H3.
What are the key properties of 5-(ethoxymethyl)-5-methyloxolan-2-one?
5-(ethoxymethyl)-5-methyloxolan-2-one has a molecular weight of 158.20 g/mol, XLogP of 1.12, 3 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 5-(ethoxymethyl)-5-methyloxolan-2-one is sourced from PubChem (CID 103439717), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).