2,2,3-trimethyl-4,5-di(propan-2-yl)-3H-pyran-6-one

C14H24O2 — CID 135141537

IUPAC2,2,3-trimethyl-4,5-di(propan-2-yl)-3H-pyran-6-one
SMILESCC(C)C1=C(C(C)C)C(C)C(C)(C)OC1=O
InChIInChI=1S/C14H24O2/c1-8(2)11-10(5)14(6,7)16-13(15)12(11)9(3)4/h8-10H,1-7H3
InChIKeyAWYDBDGBGOPEQJ-UHFFFAOYSA-N
MW224.34 g/mol
LogP3.57
Rot. Bonds2

About 2,2,3-trimethyl-4,5-di(propan-2-yl)-3H-pyran-6-one

2,2,3-trimethyl-4,5-di(propan-2-yl)-3H-pyran-6-one (PubChem CID 135141537) has the molecular formula C14H24O2 and a molecular weight of 224.34 g/mol. Its IUPAC name is 2,2,3-trimethyl-4,5-di(propan-2-yl)-3H-pyran-6-one.

Molecular Properties

Compound Name2,2,3-trimethyl-4,5-di(propan-2-yl)-3H-pyran-6-one
PubChem CID135141537
Molecular FormulaC14H24O2
Molecular Weight224.34 g/mol
Exact Mass224.18
IUPAC Name2,2,3-trimethyl-4,5-di(propan-2-yl)-3H-pyran-6-one
SMILESCC(C)C1=C(C(C)C)C(C)C(C)(C)OC1=O
InChIInChI=1S/C14H24O2/c1-8(2)11-10(5)14(6,7)16-13(15)12(11)9(3)4/h8-10H,1-7H3
InChIKeyAWYDBDGBGOPEQJ-UHFFFAOYSA-N
XLogP3.57
TPSA26.30 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500224.34
LogP ≤ 53.57
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of 2,2,3-trimethyl-4,5-di(propan-2-yl)-3H-pyran-6-one?
The IUPAC name of 2,2,3-trimethyl-4,5-di(propan-2-yl)-3H-pyran-6-one (CID 135141537) is 2,2,3-trimethyl-4,5-di(propan-2-yl)-3H-pyran-6-one.
What is the SMILES notation for 2,2,3-trimethyl-4,5-di(propan-2-yl)-3H-pyran-6-one?
The canonical SMILES for 2,2,3-trimethyl-4,5-di(propan-2-yl)-3H-pyran-6-one is CC(C)C1=C(C(C)C)C(C)C(C)(C)OC1=O.
What is the InChIKey of 2,2,3-trimethyl-4,5-di(propan-2-yl)-3H-pyran-6-one?
The InChIKey is AWYDBDGBGOPEQJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H24O2/c1-8(2)11-10(5)14(6,7)16-13(15)12(11)9(3)4/h8-10H,1-7H3.
What are the key properties of 2,2,3-trimethyl-4,5-di(propan-2-yl)-3H-pyran-6-one?
2,2,3-trimethyl-4,5-di(propan-2-yl)-3H-pyran-6-one has a molecular weight of 224.34 g/mol, XLogP of 3.57, 2 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2,2,3-trimethyl-4,5-di(propan-2-yl)-3H-pyran-6-one is sourced from PubChem (CID 135141537), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).