1-(6-butan-2-yl-3,4-dihydro-2H-pyran-2-yl)-2-methylbutan-1-one

C14H24O2 — CID 102227247

IUPAC1-(6-butan-2-yl-3,4-dihydro-2H-pyran-2-yl)-2-methylbutan-1-one
SMILESCCC(C)C(=O)C1CCC=C(C(C)CC)O1
InChIInChI=1S/C14H24O2/c1-5-10(3)12-8-7-9-13(16-12)14(15)11(4)6-2/h8,10-11,13H,5-7,9H2,1-4H3
InChIKeyZGCFAZUMUTWFAA-UHFFFAOYSA-N
MW224.34 g/mol
LogP3.71
Rot. Bonds5

About 1-(6-butan-2-yl-3,4-dihydro-2H-pyran-2-yl)-2-methylbutan-1-one

1-(6-butan-2-yl-3,4-dihydro-2H-pyran-2-yl)-2-methylbutan-1-one (PubChem CID 102227247) has the molecular formula C14H24O2 and a molecular weight of 224.34 g/mol. Its IUPAC name is 1-(6-butan-2-yl-3,4-dihydro-2H-pyran-2-yl)-2-methylbutan-1-one.

Molecular Properties

Compound Name1-(6-butan-2-yl-3,4-dihydro-2H-pyran-2-yl)-2-methylbutan-1-one
PubChem CID102227247
Molecular FormulaC14H24O2
Molecular Weight224.34 g/mol
Exact Mass224.18
IUPAC Name1-(6-butan-2-yl-3,4-dihydro-2H-pyran-2-yl)-2-methylbutan-1-one
SMILESCCC(C)C(=O)C1CCC=C(C(C)CC)O1
InChIInChI=1S/C14H24O2/c1-5-10(3)12-8-7-9-13(16-12)14(15)11(4)6-2/h8,10-11,13H,5-7,9H2,1-4H3
InChIKeyZGCFAZUMUTWFAA-UHFFFAOYSA-N
XLogP3.71
TPSA26.30 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds5
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500224.34
LogP ≤ 53.71
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of 1-(6-butan-2-yl-3,4-dihydro-2H-pyran-2-yl)-2-methylbutan-1-one?
The IUPAC name of 1-(6-butan-2-yl-3,4-dihydro-2H-pyran-2-yl)-2-methylbutan-1-one (CID 102227247) is 1-(6-butan-2-yl-3,4-dihydro-2H-pyran-2-yl)-2-methylbutan-1-one.
What is the SMILES notation for 1-(6-butan-2-yl-3,4-dihydro-2H-pyran-2-yl)-2-methylbutan-1-one?
The canonical SMILES for 1-(6-butan-2-yl-3,4-dihydro-2H-pyran-2-yl)-2-methylbutan-1-one is CCC(C)C(=O)C1CCC=C(C(C)CC)O1.
What is the InChIKey of 1-(6-butan-2-yl-3,4-dihydro-2H-pyran-2-yl)-2-methylbutan-1-one?
The InChIKey is ZGCFAZUMUTWFAA-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H24O2/c1-5-10(3)12-8-7-9-13(16-12)14(15)11(4)6-2/h8,10-11,13H,5-7,9H2,1-4H3.
What are the key properties of 1-(6-butan-2-yl-3,4-dihydro-2H-pyran-2-yl)-2-methylbutan-1-one?
1-(6-butan-2-yl-3,4-dihydro-2H-pyran-2-yl)-2-methylbutan-1-one has a molecular weight of 224.34 g/mol, XLogP of 3.71, 5 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(6-butan-2-yl-3,4-dihydro-2H-pyran-2-yl)-2-methylbutan-1-one is sourced from PubChem (CID 102227247), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).