4a-hydroxy-2,3,7,8,9-pentamethyl-3,5,8,9-tetrahydro-2H-furo[3,2-i][1,4]benzodioxin-6-one

C15H22O5 — CID 163065743

IUPAC4a-hydroxy-2,3,7,8,9-pentamethyl-3,5,8,9-tetrahydro-2H-furo[3,2-i][1,4]benzodioxin-6-one
SMILESCC1=C2C(C)C(C)OC23OC(C)C(C)OC3(O)CC1=O
InChIInChI=1S/C15H22O5/c1-7-9(3)19-15-13(7)8(2)12(16)6-14(15,17)18-10(4)11(5)20-15/h7,9-11,17H,6H2,1-5H3
InChIKeyZKJBPMKFQZIISQ-UHFFFAOYSA-N
MW282.34 g/mol
LogP1.54
Rot. Bonds

About 4a-hydroxy-2,3,7,8,9-pentamethyl-3,5,8,9-tetrahydro-2H-furo[3,2-i][1,4]benzodioxin-6-one

4a-hydroxy-2,3,7,8,9-pentamethyl-3,5,8,9-tetrahydro-2H-furo[3,2-i][1,4]benzodioxin-6-one (PubChem CID 163065743) has the molecular formula C15H22O5 and a molecular weight of 282.34 g/mol. Its IUPAC name is 4a-hydroxy-2,3,7,8,9-pentamethyl-3,5,8,9-tetrahydro-2H-furo[3,2-i][1,4]benzodioxin-6-one.

Molecular Properties

Compound Name4a-hydroxy-2,3,7,8,9-pentamethyl-3,5,8,9-tetrahydro-2H-furo[3,2-i][1,4]benzodioxin-6-one
PubChem CID163065743
Molecular FormulaC15H22O5
Molecular Weight282.34 g/mol
Exact Mass282.15
IUPAC Name4a-hydroxy-2,3,7,8,9-pentamethyl-3,5,8,9-tetrahydro-2H-furo[3,2-i][1,4]benzodioxin-6-one
SMILESCC1=C2C(C)C(C)OC23OC(C)C(C)OC3(O)CC1=O
InChIInChI=1S/C15H22O5/c1-7-9(3)19-15-13(7)8(2)12(16)6-14(15,17)18-10(4)11(5)20-15/h7,9-11,17H,6H2,1-5H3
InChIKeyZKJBPMKFQZIISQ-UHFFFAOYSA-N
XLogP1.54
TPSA64.99 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500282.34
LogP ≤ 51.54
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Related Compounds

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Frequently Asked Questions

What is the IUPAC name of 4a-hydroxy-2,3,7,8,9-pentamethyl-3,5,8,9-tetrahydro-2H-furo[3,2-i][1,4]benzodioxin-6-one?
The IUPAC name of 4a-hydroxy-2,3,7,8,9-pentamethyl-3,5,8,9-tetrahydro-2H-furo[3,2-i][1,4]benzodioxin-6-one (CID 163065743) is 4a-hydroxy-2,3,7,8,9-pentamethyl-3,5,8,9-tetrahydro-2H-furo[3,2-i][1,4]benzodioxin-6-one.
What is the SMILES notation for 4a-hydroxy-2,3,7,8,9-pentamethyl-3,5,8,9-tetrahydro-2H-furo[3,2-i][1,4]benzodioxin-6-one?
The canonical SMILES for 4a-hydroxy-2,3,7,8,9-pentamethyl-3,5,8,9-tetrahydro-2H-furo[3,2-i][1,4]benzodioxin-6-one is CC1=C2C(C)C(C)OC23OC(C)C(C)OC3(O)CC1=O.
What is the InChIKey of 4a-hydroxy-2,3,7,8,9-pentamethyl-3,5,8,9-tetrahydro-2H-furo[3,2-i][1,4]benzodioxin-6-one?
The InChIKey is ZKJBPMKFQZIISQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H22O5/c1-7-9(3)19-15-13(7)8(2)12(16)6-14(15,17)18-10(4)11(5)20-15/h7,9-11,17H,6H2,1-5H3.
What are the key properties of 4a-hydroxy-2,3,7,8,9-pentamethyl-3,5,8,9-tetrahydro-2H-furo[3,2-i][1,4]benzodioxin-6-one?
4a-hydroxy-2,3,7,8,9-pentamethyl-3,5,8,9-tetrahydro-2H-furo[3,2-i][1,4]benzodioxin-6-one has a molecular weight of 282.34 g/mol, XLogP of 1.54, 0 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 4a-hydroxy-2,3,7,8,9-pentamethyl-3,5,8,9-tetrahydro-2H-furo[3,2-i][1,4]benzodioxin-6-one is sourced from PubChem (CID 163065743), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).