1-(3,4-dihydro-2H-pyran-5-yl)butan-1-one

C9H14O2 — CID 104058245

IUPAC1-(3,4-dihydro-2H-pyran-5-yl)butan-1-one
SMILESCCCC(=O)C1=COCCC1
InChIInChI=1S/C9H14O2/c1-2-4-9(10)8-5-3-6-11-7-8/h7H,2-6H2,1H3
InChIKeyGVIHNZQXCAXASF-UHFFFAOYSA-N
MW154.21 g/mol
LogP1.40
Rot. Bonds3

About 1-(3,4-dihydro-2H-pyran-5-yl)butan-1-one

1-(3,4-dihydro-2H-pyran-5-yl)butan-1-one (PubChem CID 104058245) has the molecular formula C9H14O2 and a molecular weight of 154.21 g/mol. Its IUPAC name is 1-(3,4-dihydro-2H-pyran-5-yl)butan-1-one.

Molecular Properties

Compound Name1-(3,4-dihydro-2H-pyran-5-yl)butan-1-one
PubChem CID104058245
Molecular FormulaC9H14O2
Molecular Weight154.21 g/mol
Exact Mass154.10
IUPAC Name1-(3,4-dihydro-2H-pyran-5-yl)butan-1-one
SMILESCCCC(=O)C1=COCCC1
InChIInChI=1S/C9H14O2/c1-2-4-9(10)8-5-3-6-11-7-8/h7H,2-6H2,1H3
InChIKeyGVIHNZQXCAXASF-UHFFFAOYSA-N
XLogP1.40
TPSA26.30 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms11
Complexity170

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500154.21
LogP ≤ 51.40
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of 1-(3,4-dihydro-2H-pyran-5-yl)butan-1-one?
The IUPAC name of 1-(3,4-dihydro-2H-pyran-5-yl)butan-1-one (CID 104058245) is 1-(3,4-dihydro-2H-pyran-5-yl)butan-1-one.
What is the SMILES notation for 1-(3,4-dihydro-2H-pyran-5-yl)butan-1-one?
The canonical SMILES for 1-(3,4-dihydro-2H-pyran-5-yl)butan-1-one is CCCC(=O)C1=COCCC1.
What is the InChIKey of 1-(3,4-dihydro-2H-pyran-5-yl)butan-1-one?
The InChIKey is GVIHNZQXCAXASF-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H14O2/c1-2-4-9(10)8-5-3-6-11-7-8/h7H,2-6H2,1H3.
What are the key properties of 1-(3,4-dihydro-2H-pyran-5-yl)butan-1-one?
1-(3,4-dihydro-2H-pyran-5-yl)butan-1-one has a molecular weight of 154.21 g/mol, XLogP of 1.40, 3 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(3,4-dihydro-2H-pyran-5-yl)butan-1-one is sourced from PubChem (CID 104058245), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).