2-(2,6-dimethylheptyl)-4-methyl-2,3-dihydropyran-6-one

C15H26O2 — CID 573838

IUPAC2-(2,6-dimethylheptyl)-4-methyl-2,3-dihydropyran-6-one
SMILESCC1=CC(=O)OC(CC(C)CCCC(C)C)C1
InChIInChI=1S/C15H26O2/c1-11(2)6-5-7-12(3)8-14-9-13(4)10-15(16)17-14/h10-12,14H,5-9H2,1-4H3
InChIKeyXQKGWRJAYOCCIA-UHFFFAOYSA-N
MW238.37 g/mol
LogP4.10
Rot. Bonds6

About 2-(2,6-dimethylheptyl)-4-methyl-2,3-dihydropyran-6-one

2-(2,6-dimethylheptyl)-4-methyl-2,3-dihydropyran-6-one (PubChem CID 573838) has the molecular formula C15H26O2 and a molecular weight of 238.37 g/mol. Its IUPAC name is 2-(2,6-dimethylheptyl)-4-methyl-2,3-dihydropyran-6-one.

Molecular Properties

Compound Name2-(2,6-dimethylheptyl)-4-methyl-2,3-dihydropyran-6-one
PubChem CID573838
Molecular FormulaC15H26O2
Molecular Weight238.37 g/mol
Exact Mass238.19
IUPAC Name2-(2,6-dimethylheptyl)-4-methyl-2,3-dihydropyran-6-one
SMILESCC1=CC(=O)OC(CC(C)CCCC(C)C)C1
InChIInChI=1S/C15H26O2/c1-11(2)6-5-7-12(3)8-14-9-13(4)10-15(16)17-14/h10-12,14H,5-9H2,1-4H3
InChIKeyXQKGWRJAYOCCIA-UHFFFAOYSA-N
XLogP4.10
TPSA26.30 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds6
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500238.37
LogP ≤ 54.10
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of 2-(2,6-dimethylheptyl)-4-methyl-2,3-dihydropyran-6-one?
The IUPAC name of 2-(2,6-dimethylheptyl)-4-methyl-2,3-dihydropyran-6-one (CID 573838) is 2-(2,6-dimethylheptyl)-4-methyl-2,3-dihydropyran-6-one.
What is the SMILES notation for 2-(2,6-dimethylheptyl)-4-methyl-2,3-dihydropyran-6-one?
The canonical SMILES for 2-(2,6-dimethylheptyl)-4-methyl-2,3-dihydropyran-6-one is CC1=CC(=O)OC(CC(C)CCCC(C)C)C1.
What is the InChIKey of 2-(2,6-dimethylheptyl)-4-methyl-2,3-dihydropyran-6-one?
The InChIKey is XQKGWRJAYOCCIA-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H26O2/c1-11(2)6-5-7-12(3)8-14-9-13(4)10-15(16)17-14/h10-12,14H,5-9H2,1-4H3.
What are the key properties of 2-(2,6-dimethylheptyl)-4-methyl-2,3-dihydropyran-6-one?
2-(2,6-dimethylheptyl)-4-methyl-2,3-dihydropyran-6-one has a molecular weight of 238.37 g/mol, XLogP of 4.10, 6 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(2,6-dimethylheptyl)-4-methyl-2,3-dihydropyran-6-one is sourced from PubChem (CID 573838), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).