2-(6-propan-2-yl-3,4-dihydro-2H-pyran-2-yl)pentan-3-one

C13H22O2 — CID 166611139

IUPAC2-(6-propan-2-yl-3,4-dihydro-2H-pyran-2-yl)pentan-3-one
SMILESCCC(=O)C(C)C1CCC=C(C(C)C)O1
InChIInChI=1S/C13H22O2/c1-5-11(14)10(4)13-8-6-7-12(15-13)9(2)3/h7,9-10,13H,5-6,8H2,1-4H3
InChIKeyXESLWIXFGCBYET-UHFFFAOYSA-N
MW210.32 g/mol
LogP3.32
Rot. Bonds4

About 2-(6-propan-2-yl-3,4-dihydro-2H-pyran-2-yl)pentan-3-one

2-(6-propan-2-yl-3,4-dihydro-2H-pyran-2-yl)pentan-3-one (PubChem CID 166611139) has the molecular formula C13H22O2 and a molecular weight of 210.32 g/mol. Its IUPAC name is 2-(6-propan-2-yl-3,4-dihydro-2H-pyran-2-yl)pentan-3-one.

Molecular Properties

Compound Name2-(6-propan-2-yl-3,4-dihydro-2H-pyran-2-yl)pentan-3-one
PubChem CID166611139
Molecular FormulaC13H22O2
Molecular Weight210.32 g/mol
Exact Mass210.16
IUPAC Name2-(6-propan-2-yl-3,4-dihydro-2H-pyran-2-yl)pentan-3-one
SMILESCCC(=O)C(C)C1CCC=C(C(C)C)O1
InChIInChI=1S/C13H22O2/c1-5-11(14)10(4)13-8-6-7-12(15-13)9(2)3/h7,9-10,13H,5-6,8H2,1-4H3
InChIKeyXESLWIXFGCBYET-UHFFFAOYSA-N
XLogP3.32
TPSA26.30 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500210.32
LogP ≤ 53.32
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of 2-(6-propan-2-yl-3,4-dihydro-2H-pyran-2-yl)pentan-3-one?
The IUPAC name of 2-(6-propan-2-yl-3,4-dihydro-2H-pyran-2-yl)pentan-3-one (CID 166611139) is 2-(6-propan-2-yl-3,4-dihydro-2H-pyran-2-yl)pentan-3-one.
What is the SMILES notation for 2-(6-propan-2-yl-3,4-dihydro-2H-pyran-2-yl)pentan-3-one?
The canonical SMILES for 2-(6-propan-2-yl-3,4-dihydro-2H-pyran-2-yl)pentan-3-one is CCC(=O)C(C)C1CCC=C(C(C)C)O1.
What is the InChIKey of 2-(6-propan-2-yl-3,4-dihydro-2H-pyran-2-yl)pentan-3-one?
The InChIKey is XESLWIXFGCBYET-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H22O2/c1-5-11(14)10(4)13-8-6-7-12(15-13)9(2)3/h7,9-10,13H,5-6,8H2,1-4H3.
What are the key properties of 2-(6-propan-2-yl-3,4-dihydro-2H-pyran-2-yl)pentan-3-one?
2-(6-propan-2-yl-3,4-dihydro-2H-pyran-2-yl)pentan-3-one has a molecular weight of 210.32 g/mol, XLogP of 3.32, 4 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(6-propan-2-yl-3,4-dihydro-2H-pyran-2-yl)pentan-3-one is sourced from PubChem (CID 166611139), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).