1-(3,6-dihydro-2H-pyran-4-yl)ethanone

C7H10O2 — CID 45085204

IUPAC1-(3,6-dihydro-2H-pyran-4-yl)ethanone
SMILESCC(=O)C1=CCOCC1
InChIInChI=1S/C7H10O2/c1-6(8)7-2-4-9-5-3-7/h2H,3-5H2,1H3
InChIKeyKDWKXQAAHXFYFX-UHFFFAOYSA-N
MW126.15 g/mol
LogP0.92
Rot. Bonds1

About 1-(3,6-dihydro-2H-pyran-4-yl)ethanone

1-(3,6-dihydro-2H-pyran-4-yl)ethanone (PubChem CID 45085204) has the molecular formula C7H10O2 and a molecular weight of 126.15 g/mol. Its IUPAC name is 1-(3,6-dihydro-2H-pyran-4-yl)ethanone.

Molecular Properties

Compound Name1-(3,6-dihydro-2H-pyran-4-yl)ethanone
PubChem CID45085204
Molecular FormulaC7H10O2
Molecular Weight126.15 g/mol
Exact Mass126.07
IUPAC Name1-(3,6-dihydro-2H-pyran-4-yl)ethanone
SMILESCC(=O)C1=CCOCC1
InChIInChI=1S/C7H10O2/c1-6(8)7-2-4-9-5-3-7/h2H,3-5H2,1H3
InChIKeyKDWKXQAAHXFYFX-UHFFFAOYSA-N
XLogP0.92
TPSA26.30 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds1
Heavy Atoms9
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500126.15
LogP ≤ 50.92
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

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Related Compounds

3,6-dihydro-2H-pyran-4-carbaldehyde
CID 13435928
3-Ethoxymethyl-5,6-dimethylbenzo-1,4-quinone
CID 129853872
2-(2-Ethoxyethyl)cyclohexa-2,5-diene-1,4-dione
CID 19883967
(E)-1-(5-but-1-en-2-yl-3,6-dihydro-2H-pyran-4-yl)-2-methylhex-2-ene-1,5-dione
CID 130323895
1-(6-methyl-3,6-dihydro-2H-pyran-5-yl)ethanone
CID 153734028
1-(3,6-dihydro-2H-pyran-5-yl)propan-1-one
CID 154189546
1-(3,6-dihydro-2H-pyran-4-yl)-2-methylpropan-1-one
CID 169969675
1-(6-methyl-3,6-dihydro-2H-pyran-5-yl)propan-1-one
CID 170567313
5-(Methoxymethyl)cyclohexa-2,4-dien-1-one
CID 173366831
3-(Oxiran-2-yl)hex-3-en-2-one
CID 173789575
1-(6,6-Dimethyl-2,3-dihydropyran-4-yl)ethanone
CID 12483744
1-(6,6-Dimethyl-2,5-dihydropyran-4-yl)ethanone
CID 12483745

Frequently Asked Questions

What is the IUPAC name of 1-(3,6-dihydro-2H-pyran-4-yl)ethanone?
The IUPAC name of 1-(3,6-dihydro-2H-pyran-4-yl)ethanone (CID 45085204) is 1-(3,6-dihydro-2H-pyran-4-yl)ethanone.
What is the SMILES notation for 1-(3,6-dihydro-2H-pyran-4-yl)ethanone?
The canonical SMILES for 1-(3,6-dihydro-2H-pyran-4-yl)ethanone is CC(=O)C1=CCOCC1.
What is the InChIKey of 1-(3,6-dihydro-2H-pyran-4-yl)ethanone?
The InChIKey is KDWKXQAAHXFYFX-UHFFFAOYSA-N. The full InChI is InChI=1S/C7H10O2/c1-6(8)7-2-4-9-5-3-7/h2H,3-5H2,1H3.
What are the key properties of 1-(3,6-dihydro-2H-pyran-4-yl)ethanone?
1-(3,6-dihydro-2H-pyran-4-yl)ethanone has a molecular weight of 126.15 g/mol, XLogP of 0.92, 1 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(3,6-dihydro-2H-pyran-4-yl)ethanone is sourced from PubChem (CID 45085204), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).