9-methoxy-11-methyl-13-oxadispiro[4.1.47.25]tridecan-12-one

C14H22O3 — CID 70813101

IUPAC9-methoxy-11-methyl-13-oxadispiro[4.1.47.25]tridecan-12-one
SMILESCOC1CC(C)C2(C1)CC1(CCCC1)OC2=O
InChIInChI=1S/C14H22O3/c1-10-7-11(16-2)8-14(10)9-13(17-12(14)15)5-3-4-6-13/h10-11H,3-9H2,1-2H3
InChIKeyFLYIOIRYCCKWDK-UHFFFAOYSA-N
MW238.33 g/mol
LogP2.68
Rot. Bonds1

About 9-methoxy-11-methyl-13-oxadispiro[4.1.47.25]tridecan-12-one

9-methoxy-11-methyl-13-oxadispiro[4.1.47.25]tridecan-12-one (PubChem CID 70813101) has the molecular formula C14H22O3 and a molecular weight of 238.33 g/mol. Its IUPAC name is 9-methoxy-11-methyl-13-oxadispiro[4.1.47.25]tridecan-12-one.

Molecular Properties

Compound Name9-methoxy-11-methyl-13-oxadispiro[4.1.47.25]tridecan-12-one
PubChem CID70813101
Molecular FormulaC14H22O3
Molecular Weight238.33 g/mol
Exact Mass238.16
IUPAC Name9-methoxy-11-methyl-13-oxadispiro[4.1.47.25]tridecan-12-one
SMILESCOC1CC(C)C2(C1)CC1(CCCC1)OC2=O
InChIInChI=1S/C14H22O3/c1-10-7-11(16-2)8-14(10)9-13(17-12(14)15)5-3-4-6-13/h10-11H,3-9H2,1-2H3
InChIKeyFLYIOIRYCCKWDK-UHFFFAOYSA-N
XLogP2.68
TPSA35.53 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds1
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500238.33
LogP ≤ 52.68
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 9-methoxy-11-methyl-13-oxadispiro[4.1.47.25]tridecan-12-one?
The IUPAC name of 9-methoxy-11-methyl-13-oxadispiro[4.1.47.25]tridecan-12-one (CID 70813101) is 9-methoxy-11-methyl-13-oxadispiro[4.1.47.25]tridecan-12-one.
What is the SMILES notation for 9-methoxy-11-methyl-13-oxadispiro[4.1.47.25]tridecan-12-one?
The canonical SMILES for 9-methoxy-11-methyl-13-oxadispiro[4.1.47.25]tridecan-12-one is COC1CC(C)C2(C1)CC1(CCCC1)OC2=O.
What is the InChIKey of 9-methoxy-11-methyl-13-oxadispiro[4.1.47.25]tridecan-12-one?
The InChIKey is FLYIOIRYCCKWDK-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H22O3/c1-10-7-11(16-2)8-14(10)9-13(17-12(14)15)5-3-4-6-13/h10-11H,3-9H2,1-2H3.
What are the key properties of 9-methoxy-11-methyl-13-oxadispiro[4.1.47.25]tridecan-12-one?
9-methoxy-11-methyl-13-oxadispiro[4.1.47.25]tridecan-12-one has a molecular weight of 238.33 g/mol, XLogP of 2.68, 1 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 9-methoxy-11-methyl-13-oxadispiro[4.1.47.25]tridecan-12-one is sourced from PubChem (CID 70813101), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).