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

C10H16O2 — CID 15213565

IUPAC2-(3,4-dihydro-2H-pyran-4-yl)pentan-3-one
SMILESCCC(=O)C(C)C1C=COCC1
InChIInChI=1S/C10H16O2/c1-3-10(11)8(2)9-4-6-12-7-5-9/h4,6,8-9H,3,5,7H2,1-2H3
InChIKeyNXWSJNZLDFPZFG-UHFFFAOYSA-N
MW168.24 g/mol
LogP2.15
Rot. Bonds3

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

2-(3,4-dihydro-2H-pyran-4-yl)pentan-3-one (PubChem CID 15213565) has the molecular formula C10H16O2 and a molecular weight of 168.24 g/mol. Its IUPAC name is 2-(3,4-dihydro-2H-pyran-4-yl)pentan-3-one.

Molecular Properties

Compound Name2-(3,4-dihydro-2H-pyran-4-yl)pentan-3-one
PubChem CID15213565
Molecular FormulaC10H16O2
Molecular Weight168.24 g/mol
Exact Mass168.12
IUPAC Name2-(3,4-dihydro-2H-pyran-4-yl)pentan-3-one
SMILESCCC(=O)C(C)C1C=COCC1
InChIInChI=1S/C10H16O2/c1-3-10(11)8(2)9-4-6-12-7-5-9/h4,6,8-9H,3,5,7H2,1-2H3
InChIKeyNXWSJNZLDFPZFG-UHFFFAOYSA-N
XLogP2.15
TPSA26.30 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms12
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500168.24
LogP ≤ 52.15
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of 2-(3,4-dihydro-2H-pyran-4-yl)pentan-3-one?
The IUPAC name of 2-(3,4-dihydro-2H-pyran-4-yl)pentan-3-one (CID 15213565) is 2-(3,4-dihydro-2H-pyran-4-yl)pentan-3-one.
What is the SMILES notation for 2-(3,4-dihydro-2H-pyran-4-yl)pentan-3-one?
The canonical SMILES for 2-(3,4-dihydro-2H-pyran-4-yl)pentan-3-one is CCC(=O)C(C)C1C=COCC1.
What is the InChIKey of 2-(3,4-dihydro-2H-pyran-4-yl)pentan-3-one?
The InChIKey is NXWSJNZLDFPZFG-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H16O2/c1-3-10(11)8(2)9-4-6-12-7-5-9/h4,6,8-9H,3,5,7H2,1-2H3.
What are the key properties of 2-(3,4-dihydro-2H-pyran-4-yl)pentan-3-one?
2-(3,4-dihydro-2H-pyran-4-yl)pentan-3-one has a molecular weight of 168.24 g/mol, XLogP of 2.15, 3 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(3,4-dihydro-2H-pyran-4-yl)pentan-3-one is sourced from PubChem (CID 15213565), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).