2-[6-(4-hydroxy-2,6-dimethyloxan-3-yl)oxy-2-methyloxan-3-yl]oxy-6-methyl-2H-pyran-5-one

C19H30O7 — CID 90378523

IUPAC2-[6-(4-hydroxy-2,6-dimethyloxan-3-yl)oxy-2-methyloxan-3-yl]oxy-6-methyl-2H-pyran-5-one
SMILESCC1CC(O)C(OC2CCC(OC3C=CC(=O)C(C)O3)C(C)O2)C(C)O1
InChIInChI=1S/C19H30O7/c1-10-9-15(21)19(13(4)22-10)26-18-8-6-16(12(3)24-18)25-17-7-5-14(20)11(2)23-17/h5,7,10-13,15-19,21H,6,8-9H2,1-4H3
InChIKeyVKOGGFGAYMBNIE-UHFFFAOYSA-N
MW370.44 g/mol
LogP1.71
Rot. Bonds4

About 2-[6-(4-hydroxy-2,6-dimethyloxan-3-yl)oxy-2-methyloxan-3-yl]oxy-6-methyl-2H-pyran-5-one

2-[6-(4-hydroxy-2,6-dimethyloxan-3-yl)oxy-2-methyloxan-3-yl]oxy-6-methyl-2H-pyran-5-one (PubChem CID 90378523) has the molecular formula C19H30O7 and a molecular weight of 370.44 g/mol. Its IUPAC name is 2-[6-(4-hydroxy-2,6-dimethyloxan-3-yl)oxy-2-methyloxan-3-yl]oxy-6-methyl-2H-pyran-5-one.

Molecular Properties

Compound Name2-[6-(4-hydroxy-2,6-dimethyloxan-3-yl)oxy-2-methyloxan-3-yl]oxy-6-methyl-2H-pyran-5-one
PubChem CID90378523
Molecular FormulaC19H30O7
Molecular Weight370.44 g/mol
Exact Mass370.20
IUPAC Name2-[6-(4-hydroxy-2,6-dimethyloxan-3-yl)oxy-2-methyloxan-3-yl]oxy-6-methyl-2H-pyran-5-one
SMILESCC1CC(O)C(OC2CCC(OC3C=CC(=O)C(C)O3)C(C)O2)C(C)O1
InChIInChI=1S/C19H30O7/c1-10-9-15(21)19(13(4)22-10)26-18-8-6-16(12(3)24-18)25-17-7-5-14(20)11(2)23-17/h5,7,10-13,15-19,21H,6,8-9H2,1-4H3
InChIKeyVKOGGFGAYMBNIE-UHFFFAOYSA-N
XLogP1.71
TPSA83.45 Ų
H-Bond Donors1
H-Bond Acceptors7
Rotatable Bonds4
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500370.44
LogP ≤ 51.71
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 107

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Frequently Asked Questions

What is the IUPAC name of 2-[6-(4-hydroxy-2,6-dimethyloxan-3-yl)oxy-2-methyloxan-3-yl]oxy-6-methyl-2H-pyran-5-one?
The IUPAC name of 2-[6-(4-hydroxy-2,6-dimethyloxan-3-yl)oxy-2-methyloxan-3-yl]oxy-6-methyl-2H-pyran-5-one (CID 90378523) is 2-[6-(4-hydroxy-2,6-dimethyloxan-3-yl)oxy-2-methyloxan-3-yl]oxy-6-methyl-2H-pyran-5-one.
What is the SMILES notation for 2-[6-(4-hydroxy-2,6-dimethyloxan-3-yl)oxy-2-methyloxan-3-yl]oxy-6-methyl-2H-pyran-5-one?
The canonical SMILES for 2-[6-(4-hydroxy-2,6-dimethyloxan-3-yl)oxy-2-methyloxan-3-yl]oxy-6-methyl-2H-pyran-5-one is CC1CC(O)C(OC2CCC(OC3C=CC(=O)C(C)O3)C(C)O2)C(C)O1.
What is the InChIKey of 2-[6-(4-hydroxy-2,6-dimethyloxan-3-yl)oxy-2-methyloxan-3-yl]oxy-6-methyl-2H-pyran-5-one?
The InChIKey is VKOGGFGAYMBNIE-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H30O7/c1-10-9-15(21)19(13(4)22-10)26-18-8-6-16(12(3)24-18)25-17-7-5-14(20)11(2)23-17/h5,7,10-13,15-19,21H,6,8-9H2,1-4H3.
What are the key properties of 2-[6-(4-hydroxy-2,6-dimethyloxan-3-yl)oxy-2-methyloxan-3-yl]oxy-6-methyl-2H-pyran-5-one?
2-[6-(4-hydroxy-2,6-dimethyloxan-3-yl)oxy-2-methyloxan-3-yl]oxy-6-methyl-2H-pyran-5-one has a molecular weight of 370.44 g/mol, XLogP of 1.71, 4 rotatable bonds, 1 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[6-(4-hydroxy-2,6-dimethyloxan-3-yl)oxy-2-methyloxan-3-yl]oxy-6-methyl-2H-pyran-5-one is sourced from PubChem (CID 90378523), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).