3-methyl-1-[6-(2-methylpropyl)-3,4-dihydro-2H-pyran-2-yl]butan-1-one

C14H24O2 — CID 102227248

IUPAC3-methyl-1-[6-(2-methylpropyl)-3,4-dihydro-2H-pyran-2-yl]butan-1-one
SMILESCC(C)CC(=O)C1CCC=C(CC(C)C)O1
InChIInChI=1S/C14H24O2/c1-10(2)8-12-6-5-7-14(16-12)13(15)9-11(3)4/h6,10-11,14H,5,7-9H2,1-4H3
InChIKeyZKMIVDXLFYWKGV-UHFFFAOYSA-N
MW224.34 g/mol
LogP3.71
Rot. Bonds5

About 3-methyl-1-[6-(2-methylpropyl)-3,4-dihydro-2H-pyran-2-yl]butan-1-one

3-methyl-1-[6-(2-methylpropyl)-3,4-dihydro-2H-pyran-2-yl]butan-1-one (PubChem CID 102227248) has the molecular formula C14H24O2 and a molecular weight of 224.34 g/mol. Its IUPAC name is 3-methyl-1-[6-(2-methylpropyl)-3,4-dihydro-2H-pyran-2-yl]butan-1-one.

Molecular Properties

Compound Name3-methyl-1-[6-(2-methylpropyl)-3,4-dihydro-2H-pyran-2-yl]butan-1-one
PubChem CID102227248
Molecular FormulaC14H24O2
Molecular Weight224.34 g/mol
Exact Mass224.18
IUPAC Name3-methyl-1-[6-(2-methylpropyl)-3,4-dihydro-2H-pyran-2-yl]butan-1-one
SMILESCC(C)CC(=O)C1CCC=C(CC(C)C)O1
InChIInChI=1S/C14H24O2/c1-10(2)8-12-6-5-7-14(16-12)13(15)9-11(3)4/h6,10-11,14H,5,7-9H2,1-4H3
InChIKeyZKMIVDXLFYWKGV-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 3-methyl-1-[6-(2-methylpropyl)-3,4-dihydro-2H-pyran-2-yl]butan-1-one?
The IUPAC name of 3-methyl-1-[6-(2-methylpropyl)-3,4-dihydro-2H-pyran-2-yl]butan-1-one (CID 102227248) is 3-methyl-1-[6-(2-methylpropyl)-3,4-dihydro-2H-pyran-2-yl]butan-1-one.
What is the SMILES notation for 3-methyl-1-[6-(2-methylpropyl)-3,4-dihydro-2H-pyran-2-yl]butan-1-one?
The canonical SMILES for 3-methyl-1-[6-(2-methylpropyl)-3,4-dihydro-2H-pyran-2-yl]butan-1-one is CC(C)CC(=O)C1CCC=C(CC(C)C)O1.
What is the InChIKey of 3-methyl-1-[6-(2-methylpropyl)-3,4-dihydro-2H-pyran-2-yl]butan-1-one?
The InChIKey is ZKMIVDXLFYWKGV-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H24O2/c1-10(2)8-12-6-5-7-14(16-12)13(15)9-11(3)4/h6,10-11,14H,5,7-9H2,1-4H3.
What are the key properties of 3-methyl-1-[6-(2-methylpropyl)-3,4-dihydro-2H-pyran-2-yl]butan-1-one?
3-methyl-1-[6-(2-methylpropyl)-3,4-dihydro-2H-pyran-2-yl]butan-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 3-methyl-1-[6-(2-methylpropyl)-3,4-dihydro-2H-pyran-2-yl]butan-1-one is sourced from PubChem (CID 102227248), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).