1-(3-methyloxan-3-yl)ethanone

C8H14O2 — CID 89207818

IUPAC1-(3-methyloxan-3-yl)ethanone
SMILESCC(=O)C1(C)CCCOC1
InChIInChI=1S/C8H14O2/c1-7(9)8(2)4-3-5-10-6-8/h3-6H2,1-2H3
InChIKeyFGHHIRNHFOCCFB-UHFFFAOYSA-N
MW142.20 g/mol
LogP1.39
Rot. Bonds1

About 1-(3-methyloxan-3-yl)ethanone

1-(3-methyloxan-3-yl)ethanone (PubChem CID 89207818) has the molecular formula C8H14O2 and a molecular weight of 142.20 g/mol. Its IUPAC name is 1-(3-methyloxan-3-yl)ethanone.

Molecular Properties

Compound Name1-(3-methyloxan-3-yl)ethanone
PubChem CID89207818
Molecular FormulaC8H14O2
Molecular Weight142.20 g/mol
Exact Mass142.10
IUPAC Name1-(3-methyloxan-3-yl)ethanone
SMILESCC(=O)C1(C)CCCOC1
InChIInChI=1S/C8H14O2/c1-7(9)8(2)4-3-5-10-6-8/h3-6H2,1-2H3
InChIKeyFGHHIRNHFOCCFB-UHFFFAOYSA-N
XLogP1.39
TPSA26.30 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds1
Heavy Atoms10
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500142.20
LogP ≤ 51.39
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of 1-(3-methyloxan-3-yl)ethanone?
The IUPAC name of 1-(3-methyloxan-3-yl)ethanone (CID 89207818) is 1-(3-methyloxan-3-yl)ethanone.
What is the SMILES notation for 1-(3-methyloxan-3-yl)ethanone?
The canonical SMILES for 1-(3-methyloxan-3-yl)ethanone is CC(=O)C1(C)CCCOC1.
What is the InChIKey of 1-(3-methyloxan-3-yl)ethanone?
The InChIKey is FGHHIRNHFOCCFB-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H14O2/c1-7(9)8(2)4-3-5-10-6-8/h3-6H2,1-2H3.
What are the key properties of 1-(3-methyloxan-3-yl)ethanone?
1-(3-methyloxan-3-yl)ethanone has a molecular weight of 142.20 g/mol, XLogP of 1.39, 1 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(3-methyloxan-3-yl)ethanone is sourced from PubChem (CID 89207818), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).