2-methoxy-1-(oxan-2-yl)ethanone

C8H14O3 — CID 115783401

IUPAC2-methoxy-1-(oxan-2-yl)ethanone
SMILESCOCC(=O)C1CCCCO1
InChIInChI=1S/C8H14O3/c1-10-6-7(9)8-4-2-3-5-11-8/h8H,2-6H2,1H3
InChIKeyGIJAOKQVWQRHTI-UHFFFAOYSA-N
MW158.20 g/mol
LogP0.77
Rot. Bonds3

About 2-methoxy-1-(oxan-2-yl)ethanone

2-methoxy-1-(oxan-2-yl)ethanone (PubChem CID 115783401) has the molecular formula C8H14O3 and a molecular weight of 158.20 g/mol. Its IUPAC name is 2-methoxy-1-(oxan-2-yl)ethanone.

Molecular Properties

Compound Name2-methoxy-1-(oxan-2-yl)ethanone
PubChem CID115783401
Molecular FormulaC8H14O3
Molecular Weight158.20 g/mol
Exact Mass158.09
IUPAC Name2-methoxy-1-(oxan-2-yl)ethanone
SMILESCOCC(=O)C1CCCCO1
InChIInChI=1S/C8H14O3/c1-10-6-7(9)8-4-2-3-5-11-8/h8H,2-6H2,1H3
InChIKeyGIJAOKQVWQRHTI-UHFFFAOYSA-N
XLogP0.77
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 ≤ 50.77
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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Related Compounds

2-cyclopentyl-1-(oxan-2-yl)ethanone
CID 114969343
2-cyclobutyl-1-(oxan-2-yl)ethanone
CID 114974038
1-(oxan-2-yl)nonan-1-one
CID 114966896
2-methoxy-1-[4-[(2S)-oxolane-2-carbonyl]piperazin-1-yl]ethanone
CID 94150662
5-methyl-1-(oxan-2-yl)hexan-1-one
CID 115795492
methyl 2-[(2-methoxy-2-oxoethyl)-(oxane-2-carbonyl)amino]acetate
CID 55151948
CID 168919655
CID 168919655
benzene;oxane-2-carboxamide
CID 159532576
3-methyl-1-(oxolan-2-yl)butan-1-one
CID 23514782
1-(oxan-2-yl)pent-4-yn-1-one
CID 86584815
(2R)-N-(methoxymethyl)oxolane-2-carboxamide
CID 68732384
ethyl 3-oxo-3-[(2S)-oxolan-2-yl]propanoate
CID 40787289

Frequently Asked Questions

What is the IUPAC name of 2-methoxy-1-(oxan-2-yl)ethanone?
The IUPAC name of 2-methoxy-1-(oxan-2-yl)ethanone (CID 115783401) is 2-methoxy-1-(oxan-2-yl)ethanone.
What is the SMILES notation for 2-methoxy-1-(oxan-2-yl)ethanone?
The canonical SMILES for 2-methoxy-1-(oxan-2-yl)ethanone is COCC(=O)C1CCCCO1.
What is the InChIKey of 2-methoxy-1-(oxan-2-yl)ethanone?
The InChIKey is GIJAOKQVWQRHTI-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H14O3/c1-10-6-7(9)8-4-2-3-5-11-8/h8H,2-6H2,1H3.
What are the key properties of 2-methoxy-1-(oxan-2-yl)ethanone?
2-methoxy-1-(oxan-2-yl)ethanone has a molecular weight of 158.20 g/mol, XLogP of 0.77, 3 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-methoxy-1-(oxan-2-yl)ethanone is sourced from PubChem (CID 115783401), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).