4,9-dimethoxy-7-methyl-2,3,3a,4,4a,6,7,8a,9,9a-decahydrofuro[3,2-g]chromen-5-one

C14H22O5 — CID 162897677

IUPAC4,9-dimethoxy-7-methyl-2,3,3a,4,4a,6,7,8a,9,9a-decahydrofuro[3,2-g]chromen-5-one
SMILESCOC1C2OCCC2C(OC)C2C(=O)CC(C)OC12
InChIInChI=1S/C14H22O5/c1-7-6-9(15)10-11(16-2)8-4-5-18-12(8)14(17-3)13(10)19-7/h7-8,10-14H,4-6H2,1-3H3
InChIKeySXFPNMRWIWIAGS-UHFFFAOYSA-N
MW270.32 g/mol
LogP0.80
Rot. Bonds2

About 4,9-dimethoxy-7-methyl-2,3,3a,4,4a,6,7,8a,9,9a-decahydrofuro[3,2-g]chromen-5-one

4,9-dimethoxy-7-methyl-2,3,3a,4,4a,6,7,8a,9,9a-decahydrofuro[3,2-g]chromen-5-one (PubChem CID 162897677) has the molecular formula C14H22O5 and a molecular weight of 270.32 g/mol. Its IUPAC name is 4,9-dimethoxy-7-methyl-2,3,3a,4,4a,6,7,8a,9,9a-decahydrofuro[3,2-g]chromen-5-one.

Molecular Properties

Compound Name4,9-dimethoxy-7-methyl-2,3,3a,4,4a,6,7,8a,9,9a-decahydrofuro[3,2-g]chromen-5-one
PubChem CID162897677
Molecular FormulaC14H22O5
Molecular Weight270.32 g/mol
Exact Mass270.15
IUPAC Name4,9-dimethoxy-7-methyl-2,3,3a,4,4a,6,7,8a,9,9a-decahydrofuro[3,2-g]chromen-5-one
SMILESCOC1C2OCCC2C(OC)C2C(=O)CC(C)OC12
InChIInChI=1S/C14H22O5/c1-7-6-9(15)10-11(16-2)8-4-5-18-12(8)14(17-3)13(10)19-7/h7-8,10-14H,4-6H2,1-3H3
InChIKeySXFPNMRWIWIAGS-UHFFFAOYSA-N
XLogP0.80
TPSA53.99 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds2
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500270.32
LogP ≤ 50.80
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of 4,9-dimethoxy-7-methyl-2,3,3a,4,4a,6,7,8a,9,9a-decahydrofuro[3,2-g]chromen-5-one?
The IUPAC name of 4,9-dimethoxy-7-methyl-2,3,3a,4,4a,6,7,8a,9,9a-decahydrofuro[3,2-g]chromen-5-one (CID 162897677) is 4,9-dimethoxy-7-methyl-2,3,3a,4,4a,6,7,8a,9,9a-decahydrofuro[3,2-g]chromen-5-one.
What is the SMILES notation for 4,9-dimethoxy-7-methyl-2,3,3a,4,4a,6,7,8a,9,9a-decahydrofuro[3,2-g]chromen-5-one?
The canonical SMILES for 4,9-dimethoxy-7-methyl-2,3,3a,4,4a,6,7,8a,9,9a-decahydrofuro[3,2-g]chromen-5-one is COC1C2OCCC2C(OC)C2C(=O)CC(C)OC12.
What is the InChIKey of 4,9-dimethoxy-7-methyl-2,3,3a,4,4a,6,7,8a,9,9a-decahydrofuro[3,2-g]chromen-5-one?
The InChIKey is SXFPNMRWIWIAGS-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H22O5/c1-7-6-9(15)10-11(16-2)8-4-5-18-12(8)14(17-3)13(10)19-7/h7-8,10-14H,4-6H2,1-3H3.
What are the key properties of 4,9-dimethoxy-7-methyl-2,3,3a,4,4a,6,7,8a,9,9a-decahydrofuro[3,2-g]chromen-5-one?
4,9-dimethoxy-7-methyl-2,3,3a,4,4a,6,7,8a,9,9a-decahydrofuro[3,2-g]chromen-5-one has a molecular weight of 270.32 g/mol, XLogP of 0.80, 2 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 4,9-dimethoxy-7-methyl-2,3,3a,4,4a,6,7,8a,9,9a-decahydrofuro[3,2-g]chromen-5-one is sourced from PubChem (CID 162897677), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).