4-hydroxy-6-(2-methyldecyl)pyran-2-one

C16H26O3 — CID 91825618

IUPAC4-hydroxy-6-(2-methyldecyl)pyran-2-one
SMILESCCCCCCCCC(C)Cc1cc(O)cc(=O)o1
InChIInChI=1S/C16H26O3/c1-3-4-5-6-7-8-9-13(2)10-15-11-14(17)12-16(18)19-15/h11-13,17H,3-10H2,1-2H3
InChIKeyKVHQKDOXKYEICJ-UHFFFAOYSA-N
MW266.38 g/mol
LogP4.27
Rot. Bonds9

About 4-hydroxy-6-(2-methyldecyl)pyran-2-one

4-hydroxy-6-(2-methyldecyl)pyran-2-one (PubChem CID 91825618) has the molecular formula C16H26O3 and a molecular weight of 266.38 g/mol. Its IUPAC name is 4-hydroxy-6-(2-methyldecyl)pyran-2-one.

Molecular Properties

Compound Name4-hydroxy-6-(2-methyldecyl)pyran-2-one
PubChem CID91825618
Molecular FormulaC16H26O3
Molecular Weight266.38 g/mol
Exact Mass266.19
IUPAC Name4-hydroxy-6-(2-methyldecyl)pyran-2-one
SMILESCCCCCCCCC(C)Cc1cc(O)cc(=O)o1
InChIInChI=1S/C16H26O3/c1-3-4-5-6-7-8-9-13(2)10-15-11-14(17)12-16(18)19-15/h11-13,17H,3-10H2,1-2H3
InChIKeyKVHQKDOXKYEICJ-UHFFFAOYSA-N
XLogP4.27
TPSA50.44 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds9
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500266.38
LogP ≤ 54.27
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of 4-hydroxy-6-(2-methyldecyl)pyran-2-one?
The IUPAC name of 4-hydroxy-6-(2-methyldecyl)pyran-2-one (CID 91825618) is 4-hydroxy-6-(2-methyldecyl)pyran-2-one.
What is the SMILES notation for 4-hydroxy-6-(2-methyldecyl)pyran-2-one?
The canonical SMILES for 4-hydroxy-6-(2-methyldecyl)pyran-2-one is CCCCCCCCC(C)Cc1cc(O)cc(=O)o1.
What is the InChIKey of 4-hydroxy-6-(2-methyldecyl)pyran-2-one?
The InChIKey is KVHQKDOXKYEICJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H26O3/c1-3-4-5-6-7-8-9-13(2)10-15-11-14(17)12-16(18)19-15/h11-13,17H,3-10H2,1-2H3.
What are the key properties of 4-hydroxy-6-(2-methyldecyl)pyran-2-one?
4-hydroxy-6-(2-methyldecyl)pyran-2-one has a molecular weight of 266.38 g/mol, XLogP of 4.27, 9 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 4-hydroxy-6-(2-methyldecyl)pyran-2-one is sourced from PubChem (CID 91825618), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).