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

C8H12O2 — CID 23352854

IUPAC1-(6-methyl-3,6-dihydro-2H-pyran-2-yl)ethanone
SMILESCC(=O)C1CC=CC(C)O1
InChIInChI=1S/C8H12O2/c1-6-4-3-5-8(10-6)7(2)9/h3-4,6,8H,5H2,1-2H3
InChIKeyAVVDTIODBBCZOJ-UHFFFAOYSA-N
MW140.18 g/mol
LogP1.31
Rot. Bonds1

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

1-(6-methyl-3,6-dihydro-2H-pyran-2-yl)ethanone (PubChem CID 23352854) has the molecular formula C8H12O2 and a molecular weight of 140.18 g/mol. Its IUPAC name is 1-(6-methyl-3,6-dihydro-2H-pyran-2-yl)ethanone.

Molecular Properties

Compound Name1-(6-methyl-3,6-dihydro-2H-pyran-2-yl)ethanone
PubChem CID23352854
Molecular FormulaC8H12O2
Molecular Weight140.18 g/mol
Exact Mass140.08
IUPAC Name1-(6-methyl-3,6-dihydro-2H-pyran-2-yl)ethanone
SMILESCC(=O)C1CC=CC(C)O1
InChIInChI=1S/C8H12O2/c1-6-4-3-5-8(10-6)7(2)9/h3-4,6,8H,5H2,1-2H3
InChIKeyAVVDTIODBBCZOJ-UHFFFAOYSA-N
XLogP1.31
TPSA26.30 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds1
Heavy Atoms10
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500140.18
LogP ≤ 51.31
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'isolated_alkene', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of 1-(6-methyl-3,6-dihydro-2H-pyran-2-yl)ethanone?
The IUPAC name of 1-(6-methyl-3,6-dihydro-2H-pyran-2-yl)ethanone (CID 23352854) is 1-(6-methyl-3,6-dihydro-2H-pyran-2-yl)ethanone.
What is the SMILES notation for 1-(6-methyl-3,6-dihydro-2H-pyran-2-yl)ethanone?
The canonical SMILES for 1-(6-methyl-3,6-dihydro-2H-pyran-2-yl)ethanone is CC(=O)C1CC=CC(C)O1.
What is the InChIKey of 1-(6-methyl-3,6-dihydro-2H-pyran-2-yl)ethanone?
The InChIKey is AVVDTIODBBCZOJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H12O2/c1-6-4-3-5-8(10-6)7(2)9/h3-4,6,8H,5H2,1-2H3.
What are the key properties of 1-(6-methyl-3,6-dihydro-2H-pyran-2-yl)ethanone?
1-(6-methyl-3,6-dihydro-2H-pyran-2-yl)ethanone has a molecular weight of 140.18 g/mol, XLogP of 1.31, 1 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(6-methyl-3,6-dihydro-2H-pyran-2-yl)ethanone is sourced from PubChem (CID 23352854), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).