2-ethyl-2-methoxy-1-(oxan-3-yl)butan-1-one

C12H22O3 — CID 107136019

IUPAC2-ethyl-2-methoxy-1-(oxan-3-yl)butan-1-one
SMILESCCC(CC)(OC)C(=O)C1CCCOC1
InChIInChI=1S/C12H22O3/c1-4-12(5-2,14-3)11(13)10-7-6-8-15-9-10/h10H,4-9H2,1-3H3
InChIKeyLUWVHFIKKJWLDY-UHFFFAOYSA-N
MW214.30 g/mol
LogP2.19
Rot. Bonds5

About 2-ethyl-2-methoxy-1-(oxan-3-yl)butan-1-one

2-ethyl-2-methoxy-1-(oxan-3-yl)butan-1-one (PubChem CID 107136019) has the molecular formula C12H22O3 and a molecular weight of 214.30 g/mol. Its IUPAC name is 2-ethyl-2-methoxy-1-(oxan-3-yl)butan-1-one.

Molecular Properties

Compound Name2-ethyl-2-methoxy-1-(oxan-3-yl)butan-1-one
PubChem CID107136019
Molecular FormulaC12H22O3
Molecular Weight214.30 g/mol
Exact Mass214.16
IUPAC Name2-ethyl-2-methoxy-1-(oxan-3-yl)butan-1-one
SMILESCCC(CC)(OC)C(=O)C1CCCOC1
InChIInChI=1S/C12H22O3/c1-4-12(5-2,14-3)11(13)10-7-6-8-15-9-10/h10H,4-9H2,1-3H3
InChIKeyLUWVHFIKKJWLDY-UHFFFAOYSA-N
XLogP2.19
TPSA35.53 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500214.30
LogP ≤ 52.19
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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Related Compounds

2-amino-2-methyl-1-(oxan-3-yl)butan-1-one
CID 107138432
2-(dimethylamino)-2-ethyl-1-(oxan-3-yl)butan-1-one
CID 107135929
2-fluoro-2-methyl-1-(oxan-3-yl)propan-1-one
CID 130562345
2-hydroxy-2-methyl-1-(oxan-3-yl)propan-1-one
CID 107136046
methyl (3R)-oxane-3-carboxylate
CID 86306897
2-methyl-1-(oxan-3-yl)-2-pyrrolidin-1-ylpropan-1-one
CID 107135922
2-methoxy-1-(oxan-3-yl)butan-1-one
CID 107136005
2,2-dimethyl-1-(oxolan-3-yl)butan-1-one
CID 114972062
oxane-3-carbonyl oxane-3-carboperoxoate
CID 23083566
2-amino-2-cyclopropyl-1-(oxan-3-yl)propan-1-one
CID 107138320
2,2-diethoxy-1-(oxan-3-yl)ethanone
CID 107135944
2-bromo-1-(oxan-3-yl)ethanone
CID 75356444

Frequently Asked Questions

What is the IUPAC name of 2-ethyl-2-methoxy-1-(oxan-3-yl)butan-1-one?
The IUPAC name of 2-ethyl-2-methoxy-1-(oxan-3-yl)butan-1-one (CID 107136019) is 2-ethyl-2-methoxy-1-(oxan-3-yl)butan-1-one.
What is the SMILES notation for 2-ethyl-2-methoxy-1-(oxan-3-yl)butan-1-one?
The canonical SMILES for 2-ethyl-2-methoxy-1-(oxan-3-yl)butan-1-one is CCC(CC)(OC)C(=O)C1CCCOC1.
What is the InChIKey of 2-ethyl-2-methoxy-1-(oxan-3-yl)butan-1-one?
The InChIKey is LUWVHFIKKJWLDY-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H22O3/c1-4-12(5-2,14-3)11(13)10-7-6-8-15-9-10/h10H,4-9H2,1-3H3.
What are the key properties of 2-ethyl-2-methoxy-1-(oxan-3-yl)butan-1-one?
2-ethyl-2-methoxy-1-(oxan-3-yl)butan-1-one has a molecular weight of 214.30 g/mol, XLogP of 2.19, 5 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-ethyl-2-methoxy-1-(oxan-3-yl)butan-1-one is sourced from PubChem (CID 107136019), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).