2-cyclohexyl-7-methyl-2,3-dihydropyrano[4,3-b]pyran-4,5-dione

C15H18O4 — CID 139950542

IUPAC2-cyclohexyl-7-methyl-2,3-dihydropyrano[4,3-b]pyran-4,5-dione
SMILESCc1cc2c(c(=O)o1)C(=O)CC(C1CCCCC1)O2
InChIInChI=1S/C15H18O4/c1-9-7-13-14(15(17)18-9)11(16)8-12(19-13)10-5-3-2-4-6-10/h7,10,12H,2-6,8H2,1H3
InChIKeyUJGCFAVPCZRMMD-UHFFFAOYSA-N
MW262.30 g/mol
LogP2.86
Rot. Bonds1

About 2-cyclohexyl-7-methyl-2,3-dihydropyrano[4,3-b]pyran-4,5-dione

2-cyclohexyl-7-methyl-2,3-dihydropyrano[4,3-b]pyran-4,5-dione (PubChem CID 139950542) has the molecular formula C15H18O4 and a molecular weight of 262.30 g/mol. Its IUPAC name is 2-cyclohexyl-7-methyl-2,3-dihydropyrano[4,3-b]pyran-4,5-dione.

Molecular Properties

Compound Name2-cyclohexyl-7-methyl-2,3-dihydropyrano[4,3-b]pyran-4,5-dione
PubChem CID139950542
Molecular FormulaC15H18O4
Molecular Weight262.30 g/mol
Exact Mass262.12
IUPAC Name2-cyclohexyl-7-methyl-2,3-dihydropyrano[4,3-b]pyran-4,5-dione
SMILESCc1cc2c(c(=O)o1)C(=O)CC(C1CCCCC1)O2
InChIInChI=1S/C15H18O4/c1-9-7-13-14(15(17)18-9)11(16)8-12(19-13)10-5-3-2-4-6-10/h7,10,12H,2-6,8H2,1H3
InChIKeyUJGCFAVPCZRMMD-UHFFFAOYSA-N
XLogP2.86
TPSA56.51 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds1
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500262.30
LogP ≤ 52.86
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 2-cyclohexyl-7-methyl-2,3-dihydropyrano[4,3-b]pyran-4,5-dione?
The IUPAC name of 2-cyclohexyl-7-methyl-2,3-dihydropyrano[4,3-b]pyran-4,5-dione (CID 139950542) is 2-cyclohexyl-7-methyl-2,3-dihydropyrano[4,3-b]pyran-4,5-dione.
What is the SMILES notation for 2-cyclohexyl-7-methyl-2,3-dihydropyrano[4,3-b]pyran-4,5-dione?
The canonical SMILES for 2-cyclohexyl-7-methyl-2,3-dihydropyrano[4,3-b]pyran-4,5-dione is Cc1cc2c(c(=O)o1)C(=O)CC(C1CCCCC1)O2.
What is the InChIKey of 2-cyclohexyl-7-methyl-2,3-dihydropyrano[4,3-b]pyran-4,5-dione?
The InChIKey is UJGCFAVPCZRMMD-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H18O4/c1-9-7-13-14(15(17)18-9)11(16)8-12(19-13)10-5-3-2-4-6-10/h7,10,12H,2-6,8H2,1H3.
What are the key properties of 2-cyclohexyl-7-methyl-2,3-dihydropyrano[4,3-b]pyran-4,5-dione?
2-cyclohexyl-7-methyl-2,3-dihydropyrano[4,3-b]pyran-4,5-dione has a molecular weight of 262.30 g/mol, XLogP of 2.86, 1 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-cyclohexyl-7-methyl-2,3-dihydropyrano[4,3-b]pyran-4,5-dione is sourced from PubChem (CID 139950542), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).