2,2-dimethyl-4-propan-2-yl-3H-pyran-6-one

C10H16O2 — CID 71443194

IUPAC2,2-dimethyl-4-propan-2-yl-3H-pyran-6-one
SMILESCC(C)C1=CC(=O)OC(C)(C)C1
InChIInChI=1S/C10H16O2/c1-7(2)8-5-9(11)12-10(3,4)6-8/h5,7H,6H2,1-4H3
InChIKeyUYIMFBZGVQJSQY-UHFFFAOYSA-N
MW168.24 g/mol
LogP2.29
Rot. Bonds1

About 2,2-dimethyl-4-propan-2-yl-3H-pyran-6-one

2,2-dimethyl-4-propan-2-yl-3H-pyran-6-one (PubChem CID 71443194) has the molecular formula C10H16O2 and a molecular weight of 168.24 g/mol. Its IUPAC name is 2,2-dimethyl-4-propan-2-yl-3H-pyran-6-one.

Molecular Properties

Compound Name2,2-dimethyl-4-propan-2-yl-3H-pyran-6-one
PubChem CID71443194
Molecular FormulaC10H16O2
Molecular Weight168.24 g/mol
Exact Mass168.12
IUPAC Name2,2-dimethyl-4-propan-2-yl-3H-pyran-6-one
SMILESCC(C)C1=CC(=O)OC(C)(C)C1
InChIInChI=1S/C10H16O2/c1-7(2)8-5-9(11)12-10(3,4)6-8/h5,7H,6H2,1-4H3
InChIKeyUYIMFBZGVQJSQY-UHFFFAOYSA-N
XLogP2.29
TPSA26.30 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds1
Heavy Atoms12
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500168.24
LogP ≤ 52.29
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of 2,2-dimethyl-4-propan-2-yl-3H-pyran-6-one?
The IUPAC name of 2,2-dimethyl-4-propan-2-yl-3H-pyran-6-one (CID 71443194) is 2,2-dimethyl-4-propan-2-yl-3H-pyran-6-one.
What is the SMILES notation for 2,2-dimethyl-4-propan-2-yl-3H-pyran-6-one?
The canonical SMILES for 2,2-dimethyl-4-propan-2-yl-3H-pyran-6-one is CC(C)C1=CC(=O)OC(C)(C)C1.
What is the InChIKey of 2,2-dimethyl-4-propan-2-yl-3H-pyran-6-one?
The InChIKey is UYIMFBZGVQJSQY-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H16O2/c1-7(2)8-5-9(11)12-10(3,4)6-8/h5,7H,6H2,1-4H3.
What are the key properties of 2,2-dimethyl-4-propan-2-yl-3H-pyran-6-one?
2,2-dimethyl-4-propan-2-yl-3H-pyran-6-one has a molecular weight of 168.24 g/mol, XLogP of 2.29, 1 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2,2-dimethyl-4-propan-2-yl-3H-pyran-6-one is sourced from PubChem (CID 71443194), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).