2-methyl-1-(6-propan-2-yl-3,4-dihydro-2H-pyran-2-yl)propan-1-one

C12H20O2 — CID 166611135

IUPAC2-methyl-1-(6-propan-2-yl-3,4-dihydro-2H-pyran-2-yl)propan-1-one
SMILESCC(C)C(=O)C1CCC=C(C(C)C)O1
InChIInChI=1S/C12H20O2/c1-8(2)10-6-5-7-11(14-10)12(13)9(3)4/h6,8-9,11H,5,7H2,1-4H3
InChIKeyYDPVQOXZEXHCMF-UHFFFAOYSA-N
MW196.29 g/mol
LogP2.93
Rot. Bonds3

About 2-methyl-1-(6-propan-2-yl-3,4-dihydro-2H-pyran-2-yl)propan-1-one

2-methyl-1-(6-propan-2-yl-3,4-dihydro-2H-pyran-2-yl)propan-1-one (PubChem CID 166611135) has the molecular formula C12H20O2 and a molecular weight of 196.29 g/mol. Its IUPAC name is 2-methyl-1-(6-propan-2-yl-3,4-dihydro-2H-pyran-2-yl)propan-1-one.

Molecular Properties

Compound Name2-methyl-1-(6-propan-2-yl-3,4-dihydro-2H-pyran-2-yl)propan-1-one
PubChem CID166611135
Molecular FormulaC12H20O2
Molecular Weight196.29 g/mol
Exact Mass196.15
IUPAC Name2-methyl-1-(6-propan-2-yl-3,4-dihydro-2H-pyran-2-yl)propan-1-one
SMILESCC(C)C(=O)C1CCC=C(C(C)C)O1
InChIInChI=1S/C12H20O2/c1-8(2)10-6-5-7-11(14-10)12(13)9(3)4/h6,8-9,11H,5,7H2,1-4H3
InChIKeyYDPVQOXZEXHCMF-UHFFFAOYSA-N
XLogP2.93
TPSA26.30 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500196.29
LogP ≤ 52.93
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of 2-methyl-1-(6-propan-2-yl-3,4-dihydro-2H-pyran-2-yl)propan-1-one?
The IUPAC name of 2-methyl-1-(6-propan-2-yl-3,4-dihydro-2H-pyran-2-yl)propan-1-one (CID 166611135) is 2-methyl-1-(6-propan-2-yl-3,4-dihydro-2H-pyran-2-yl)propan-1-one.
What is the SMILES notation for 2-methyl-1-(6-propan-2-yl-3,4-dihydro-2H-pyran-2-yl)propan-1-one?
The canonical SMILES for 2-methyl-1-(6-propan-2-yl-3,4-dihydro-2H-pyran-2-yl)propan-1-one is CC(C)C(=O)C1CCC=C(C(C)C)O1.
What is the InChIKey of 2-methyl-1-(6-propan-2-yl-3,4-dihydro-2H-pyran-2-yl)propan-1-one?
The InChIKey is YDPVQOXZEXHCMF-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H20O2/c1-8(2)10-6-5-7-11(14-10)12(13)9(3)4/h6,8-9,11H,5,7H2,1-4H3.
What are the key properties of 2-methyl-1-(6-propan-2-yl-3,4-dihydro-2H-pyran-2-yl)propan-1-one?
2-methyl-1-(6-propan-2-yl-3,4-dihydro-2H-pyran-2-yl)propan-1-one has a molecular weight of 196.29 g/mol, XLogP of 2.93, 3 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-methyl-1-(6-propan-2-yl-3,4-dihydro-2H-pyran-2-yl)propan-1-one is sourced from PubChem (CID 166611135), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).