5,6-dipropylpyran-2-one

C11H16O2 — CID 15445692

IUPAC5,6-dipropylpyran-2-one
SMILESCCCc1ccc(=O)oc1CCC
InChIInChI=1S/C11H16O2/c1-3-5-9-7-8-11(12)13-10(9)6-4-2/h7-8H,3-6H2,1-2H3
InChIKeyMZCYDPGYCSTNSM-UHFFFAOYSA-N
MW180.25 g/mol
LogP2.54
Rot. Bonds4

About 5,6-dipropylpyran-2-one

5,6-dipropylpyran-2-one (PubChem CID 15445692) has the molecular formula C11H16O2 and a molecular weight of 180.25 g/mol. Its IUPAC name is 5,6-dipropylpyran-2-one.

Molecular Properties

Compound Name5,6-dipropylpyran-2-one
PubChem CID15445692
Molecular FormulaC11H16O2
Molecular Weight180.25 g/mol
Exact Mass180.12
IUPAC Name5,6-dipropylpyran-2-one
SMILESCCCc1ccc(=O)oc1CCC
InChIInChI=1S/C11H16O2/c1-3-5-9-7-8-11(12)13-10(9)6-4-2/h7-8H,3-6H2,1-2H3
InChIKeyMZCYDPGYCSTNSM-UHFFFAOYSA-N
XLogP2.54
TPSA30.21 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500180.25
LogP ≤ 52.54
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

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Related Compounds

6-butyl-5-(3-oxobutyl)pyran-2-one
CID 164686511
ethyl 6-oxo-3-propylpyran-2-carboxylate
CID 164685051
5,7-dipropylchromen-2-one
CID 174532195
3-ethyl-2-propylfuran
CID 12555083
1-ethyl-2,3-dimethyl-4-propylbenzene
CID 86110138
5,8-dimethyl-3-propylchromen-2-one
CID 138453827
6-butyl-5-(4-methoxyphenyl)pyran-2-one
CID 11242353
3-propyl-1H-pyridin-4-one
CID 146175162
ethane;5-hydroxy-4-propylchromen-2-one
CID 142017980
3,6-dipropylbenzene-1,2-diolate;nickel(2+)
CID 160952514
7-methoxy-8-propylchromen-2-one
CID 141186170
6-bromo-3-propylchromen-2-one
CID 57275772

Frequently Asked Questions

What is the IUPAC name of 5,6-dipropylpyran-2-one?
The IUPAC name of 5,6-dipropylpyran-2-one (CID 15445692) is 5,6-dipropylpyran-2-one.
What is the SMILES notation for 5,6-dipropylpyran-2-one?
The canonical SMILES for 5,6-dipropylpyran-2-one is CCCc1ccc(=O)oc1CCC.
What is the InChIKey of 5,6-dipropylpyran-2-one?
The InChIKey is MZCYDPGYCSTNSM-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H16O2/c1-3-5-9-7-8-11(12)13-10(9)6-4-2/h7-8H,3-6H2,1-2H3.
What are the key properties of 5,6-dipropylpyran-2-one?
5,6-dipropylpyran-2-one has a molecular weight of 180.25 g/mol, XLogP of 2.54, 4 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 5,6-dipropylpyran-2-one is sourced from PubChem (CID 15445692), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).