7-methyl-2-(2-methylpropyl)-3-propan-2-yl-2H-pyrano[3,2-c]pyran-5-one

C16H22O3 — CID 16721139

IUPAC7-methyl-2-(2-methylpropyl)-3-propan-2-yl-2H-pyrano[3,2-c]pyran-5-one
SMILESCc1cc2c(c(=O)o1)C=C(C(C)C)C(CC(C)C)O2
InChIInChI=1S/C16H22O3/c1-9(2)6-14-12(10(3)4)8-13-15(19-14)7-11(5)18-16(13)17/h7-10,14H,6H2,1-5H3
InChIKeyLVFNULNFBKGVBP-UHFFFAOYSA-N
MW262.35 g/mol
LogP3.79
Rot. Bonds3

About 7-methyl-2-(2-methylpropyl)-3-propan-2-yl-2H-pyrano[3,2-c]pyran-5-one

7-methyl-2-(2-methylpropyl)-3-propan-2-yl-2H-pyrano[3,2-c]pyran-5-one (PubChem CID 16721139) has the molecular formula C16H22O3 and a molecular weight of 262.35 g/mol. Its IUPAC name is 7-methyl-2-(2-methylpropyl)-3-propan-2-yl-2H-pyrano[3,2-c]pyran-5-one.

Molecular Properties

Compound Name7-methyl-2-(2-methylpropyl)-3-propan-2-yl-2H-pyrano[3,2-c]pyran-5-one
PubChem CID16721139
Molecular FormulaC16H22O3
Molecular Weight262.35 g/mol
Exact Mass262.16
IUPAC Name7-methyl-2-(2-methylpropyl)-3-propan-2-yl-2H-pyrano[3,2-c]pyran-5-one
SMILESCc1cc2c(c(=O)o1)C=C(C(C)C)C(CC(C)C)O2
InChIInChI=1S/C16H22O3/c1-9(2)6-14-12(10(3)4)8-13-15(19-14)7-11(5)18-16(13)17/h7-10,14H,6H2,1-5H3
InChIKeyLVFNULNFBKGVBP-UHFFFAOYSA-N
XLogP3.79
TPSA39.44 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500262.35
LogP ≤ 53.79
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 7-methyl-2-(2-methylpropyl)-3-propan-2-yl-2H-pyrano[3,2-c]pyran-5-one?
The IUPAC name of 7-methyl-2-(2-methylpropyl)-3-propan-2-yl-2H-pyrano[3,2-c]pyran-5-one (CID 16721139) is 7-methyl-2-(2-methylpropyl)-3-propan-2-yl-2H-pyrano[3,2-c]pyran-5-one.
What is the SMILES notation for 7-methyl-2-(2-methylpropyl)-3-propan-2-yl-2H-pyrano[3,2-c]pyran-5-one?
The canonical SMILES for 7-methyl-2-(2-methylpropyl)-3-propan-2-yl-2H-pyrano[3,2-c]pyran-5-one is Cc1cc2c(c(=O)o1)C=C(C(C)C)C(CC(C)C)O2.
What is the InChIKey of 7-methyl-2-(2-methylpropyl)-3-propan-2-yl-2H-pyrano[3,2-c]pyran-5-one?
The InChIKey is LVFNULNFBKGVBP-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H22O3/c1-9(2)6-14-12(10(3)4)8-13-15(19-14)7-11(5)18-16(13)17/h7-10,14H,6H2,1-5H3.
What are the key properties of 7-methyl-2-(2-methylpropyl)-3-propan-2-yl-2H-pyrano[3,2-c]pyran-5-one?
7-methyl-2-(2-methylpropyl)-3-propan-2-yl-2H-pyrano[3,2-c]pyran-5-one has a molecular weight of 262.35 g/mol, XLogP of 3.79, 3 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 7-methyl-2-(2-methylpropyl)-3-propan-2-yl-2H-pyrano[3,2-c]pyran-5-one is sourced from PubChem (CID 16721139), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).