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

C10H14O3 — CID 70440919

IUPAC4-(3,4-dihydro-2H-pyran-5-yl)oxan-3-one
SMILESO=C1COCCC1C1=COCCC1
InChIInChI=1S/C10H14O3/c11-10-7-13-5-3-9(10)8-2-1-4-12-6-8/h6,9H,1-5,7H2
InChIKeyZMGURNWXPFHZGP-UHFFFAOYSA-N
MW182.22 g/mol
LogP1.29
Rot. Bonds1

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

4-(3,4-dihydro-2H-pyran-5-yl)oxan-3-one (PubChem CID 70440919) has the molecular formula C10H14O3 and a molecular weight of 182.22 g/mol. Its IUPAC name is 4-(3,4-dihydro-2H-pyran-5-yl)oxan-3-one.

Molecular Properties

Compound Name4-(3,4-dihydro-2H-pyran-5-yl)oxan-3-one
PubChem CID70440919
Molecular FormulaC10H14O3
Molecular Weight182.22 g/mol
Exact Mass182.09
IUPAC Name4-(3,4-dihydro-2H-pyran-5-yl)oxan-3-one
SMILESO=C1COCCC1C1=COCCC1
InChIInChI=1S/C10H14O3/c11-10-7-13-5-3-9(10)8-2-1-4-12-6-8/h6,9H,1-5,7H2
InChIKeyZMGURNWXPFHZGP-UHFFFAOYSA-N
XLogP1.29
TPSA35.53 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds1
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500182.22
LogP ≤ 51.29
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 4-(3,4-dihydro-2H-pyran-5-yl)oxan-3-one?
The IUPAC name of 4-(3,4-dihydro-2H-pyran-5-yl)oxan-3-one (CID 70440919) is 4-(3,4-dihydro-2H-pyran-5-yl)oxan-3-one.
What is the SMILES notation for 4-(3,4-dihydro-2H-pyran-5-yl)oxan-3-one?
The canonical SMILES for 4-(3,4-dihydro-2H-pyran-5-yl)oxan-3-one is O=C1COCCC1C1=COCCC1.
What is the InChIKey of 4-(3,4-dihydro-2H-pyran-5-yl)oxan-3-one?
The InChIKey is ZMGURNWXPFHZGP-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H14O3/c11-10-7-13-5-3-9(10)8-2-1-4-12-6-8/h6,9H,1-5,7H2.
What are the key properties of 4-(3,4-dihydro-2H-pyran-5-yl)oxan-3-one?
4-(3,4-dihydro-2H-pyran-5-yl)oxan-3-one has a molecular weight of 182.22 g/mol, XLogP of 1.29, 1 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 4-(3,4-dihydro-2H-pyran-5-yl)oxan-3-one is sourced from PubChem (CID 70440919), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).