1-(2H-pyran-5-yl)pentan-2-one

C10H14O2 — CID 91294448

IUPAC1-(2H-pyran-5-yl)pentan-2-one
SMILESCCCC(=O)CC1=COCC=C1
InChIInChI=1S/C10H14O2/c1-2-4-10(11)7-9-5-3-6-12-8-9/h3,5,8H,2,4,6-7H2,1H3
InChIKeyDUJOLXIMAAABSY-UHFFFAOYSA-N
MW166.22 g/mol
LogP2.22
Rot. Bonds4

About 1-(2H-pyran-5-yl)pentan-2-one

1-(2H-pyran-5-yl)pentan-2-one (PubChem CID 91294448) has the molecular formula C10H14O2 and a molecular weight of 166.22 g/mol. Its IUPAC name is 1-(2H-pyran-5-yl)pentan-2-one.

Molecular Properties

Compound Name1-(2H-pyran-5-yl)pentan-2-one
PubChem CID91294448
Molecular FormulaC10H14O2
Molecular Weight166.22 g/mol
Exact Mass166.10
IUPAC Name1-(2H-pyran-5-yl)pentan-2-one
SMILESCCCC(=O)CC1=COCC=C1
InChIInChI=1S/C10H14O2/c1-2-4-10(11)7-9-5-3-6-12-8-9/h3,5,8H,2,4,6-7H2,1H3
InChIKeyDUJOLXIMAAABSY-UHFFFAOYSA-N
XLogP2.22
TPSA26.30 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms12
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500166.22
LogP ≤ 52.22
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of 1-(2H-pyran-5-yl)pentan-2-one?
The IUPAC name of 1-(2H-pyran-5-yl)pentan-2-one (CID 91294448) is 1-(2H-pyran-5-yl)pentan-2-one.
What is the SMILES notation for 1-(2H-pyran-5-yl)pentan-2-one?
The canonical SMILES for 1-(2H-pyran-5-yl)pentan-2-one is CCCC(=O)CC1=COCC=C1.
What is the InChIKey of 1-(2H-pyran-5-yl)pentan-2-one?
The InChIKey is DUJOLXIMAAABSY-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H14O2/c1-2-4-10(11)7-9-5-3-6-12-8-9/h3,5,8H,2,4,6-7H2,1H3.
What are the key properties of 1-(2H-pyran-5-yl)pentan-2-one?
1-(2H-pyran-5-yl)pentan-2-one has a molecular weight of 166.22 g/mol, XLogP of 2.22, 4 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(2H-pyran-5-yl)pentan-2-one is sourced from PubChem (CID 91294448), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).