10-(1-hydroxy-2-methylpropan-2-yl)-2,3,4,7,8,9-hexahydropyrano[2,3-g]chromen-5-ol

C16H22O4 — CID 117446306

IUPAC10-(1-hydroxy-2-methylpropan-2-yl)-2,3,4,7,8,9-hexahydropyrano[2,3-g]chromen-5-ol
SMILESCC(C)(CO)c1c2c(c(O)c3c1OCCC3)OCCC2
InChIInChI=1S/C16H22O4/c1-16(2,9-17)12-10-5-3-8-20-15(10)13(18)11-6-4-7-19-14(11)12/h17-18H,3-9H2,1-2H3
InChIKeyJECZISLVOVEOTA-UHFFFAOYSA-N
MW278.35 g/mol
LogP2.31
Rot. Bonds2

About 10-(1-hydroxy-2-methylpropan-2-yl)-2,3,4,7,8,9-hexahydropyrano[2,3-g]chromen-5-ol

10-(1-hydroxy-2-methylpropan-2-yl)-2,3,4,7,8,9-hexahydropyrano[2,3-g]chromen-5-ol (PubChem CID 117446306) has the molecular formula C16H22O4 and a molecular weight of 278.35 g/mol. Its IUPAC name is 10-(1-hydroxy-2-methylpropan-2-yl)-2,3,4,7,8,9-hexahydropyrano[2,3-g]chromen-5-ol.

Molecular Properties

Compound Name10-(1-hydroxy-2-methylpropan-2-yl)-2,3,4,7,8,9-hexahydropyrano[2,3-g]chromen-5-ol
PubChem CID117446306
Molecular FormulaC16H22O4
Molecular Weight278.35 g/mol
Exact Mass278.15
IUPAC Name10-(1-hydroxy-2-methylpropan-2-yl)-2,3,4,7,8,9-hexahydropyrano[2,3-g]chromen-5-ol
SMILESCC(C)(CO)c1c2c(c(O)c3c1OCCC3)OCCC2
InChIInChI=1S/C16H22O4/c1-16(2,9-17)12-10-5-3-8-20-15(10)13(18)11-6-4-7-19-14(11)12/h17-18H,3-9H2,1-2H3
InChIKeyJECZISLVOVEOTA-UHFFFAOYSA-N
XLogP2.31
TPSA58.92 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds2
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500278.35
LogP ≤ 52.31
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 10-(1-hydroxy-2-methylpropan-2-yl)-2,3,4,7,8,9-hexahydropyrano[2,3-g]chromen-5-ol?
The IUPAC name of 10-(1-hydroxy-2-methylpropan-2-yl)-2,3,4,7,8,9-hexahydropyrano[2,3-g]chromen-5-ol (CID 117446306) is 10-(1-hydroxy-2-methylpropan-2-yl)-2,3,4,7,8,9-hexahydropyrano[2,3-g]chromen-5-ol.
What is the SMILES notation for 10-(1-hydroxy-2-methylpropan-2-yl)-2,3,4,7,8,9-hexahydropyrano[2,3-g]chromen-5-ol?
The canonical SMILES for 10-(1-hydroxy-2-methylpropan-2-yl)-2,3,4,7,8,9-hexahydropyrano[2,3-g]chromen-5-ol is CC(C)(CO)c1c2c(c(O)c3c1OCCC3)OCCC2.
What is the InChIKey of 10-(1-hydroxy-2-methylpropan-2-yl)-2,3,4,7,8,9-hexahydropyrano[2,3-g]chromen-5-ol?
The InChIKey is JECZISLVOVEOTA-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H22O4/c1-16(2,9-17)12-10-5-3-8-20-15(10)13(18)11-6-4-7-19-14(11)12/h17-18H,3-9H2,1-2H3.
What are the key properties of 10-(1-hydroxy-2-methylpropan-2-yl)-2,3,4,7,8,9-hexahydropyrano[2,3-g]chromen-5-ol?
10-(1-hydroxy-2-methylpropan-2-yl)-2,3,4,7,8,9-hexahydropyrano[2,3-g]chromen-5-ol has a molecular weight of 278.35 g/mol, XLogP of 2.31, 2 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 10-(1-hydroxy-2-methylpropan-2-yl)-2,3,4,7,8,9-hexahydropyrano[2,3-g]chromen-5-ol is sourced from PubChem (CID 117446306), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).