6-(3-hydroxy-2-methyl-6-propan-2-yloxan-4-yl)oxy-2-methyloxane-3,4-diol

C15H28O6 — CID 162710756

IUPAC6-(3-hydroxy-2-methyl-6-propan-2-yloxan-4-yl)oxy-2-methyloxane-3,4-diol
SMILESCC(C)C1CC(OC2CC(O)C(O)C(C)O2)C(O)C(C)O1
InChIInChI=1S/C15H28O6/c1-7(2)11-6-12(15(18)9(4)19-11)21-13-5-10(16)14(17)8(3)20-13/h7-18H,5-6H2,1-4H3
InChIKeyJSKKBMPBPAYSLL-UHFFFAOYSA-N
MW304.38 g/mol
LogP0.42
Rot. Bonds3

About 6-(3-hydroxy-2-methyl-6-propan-2-yloxan-4-yl)oxy-2-methyloxane-3,4-diol

6-(3-hydroxy-2-methyl-6-propan-2-yloxan-4-yl)oxy-2-methyloxane-3,4-diol (PubChem CID 162710756) has the molecular formula C15H28O6 and a molecular weight of 304.38 g/mol. Its IUPAC name is 6-(3-hydroxy-2-methyl-6-propan-2-yloxan-4-yl)oxy-2-methyloxane-3,4-diol.

Molecular Properties

Compound Name6-(3-hydroxy-2-methyl-6-propan-2-yloxan-4-yl)oxy-2-methyloxane-3,4-diol
PubChem CID162710756
Molecular FormulaC15H28O6
Molecular Weight304.38 g/mol
Exact Mass304.19
IUPAC Name6-(3-hydroxy-2-methyl-6-propan-2-yloxan-4-yl)oxy-2-methyloxane-3,4-diol
SMILESCC(C)C1CC(OC2CC(O)C(O)C(C)O2)C(O)C(C)O1
InChIInChI=1S/C15H28O6/c1-7(2)11-6-12(15(18)9(4)19-11)21-13-5-10(16)14(17)8(3)20-13/h7-18H,5-6H2,1-4H3
InChIKeyJSKKBMPBPAYSLL-UHFFFAOYSA-N
XLogP0.42
TPSA88.38 Ų
H-Bond Donors3
H-Bond Acceptors6
Rotatable Bonds3
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500304.38
LogP ≤ 50.42
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 106

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Frequently Asked Questions

What is the IUPAC name of 6-(3-hydroxy-2-methyl-6-propan-2-yloxan-4-yl)oxy-2-methyloxane-3,4-diol?
The IUPAC name of 6-(3-hydroxy-2-methyl-6-propan-2-yloxan-4-yl)oxy-2-methyloxane-3,4-diol (CID 162710756) is 6-(3-hydroxy-2-methyl-6-propan-2-yloxan-4-yl)oxy-2-methyloxane-3,4-diol.
What is the SMILES notation for 6-(3-hydroxy-2-methyl-6-propan-2-yloxan-4-yl)oxy-2-methyloxane-3,4-diol?
The canonical SMILES for 6-(3-hydroxy-2-methyl-6-propan-2-yloxan-4-yl)oxy-2-methyloxane-3,4-diol is CC(C)C1CC(OC2CC(O)C(O)C(C)O2)C(O)C(C)O1.
What is the InChIKey of 6-(3-hydroxy-2-methyl-6-propan-2-yloxan-4-yl)oxy-2-methyloxane-3,4-diol?
The InChIKey is JSKKBMPBPAYSLL-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H28O6/c1-7(2)11-6-12(15(18)9(4)19-11)21-13-5-10(16)14(17)8(3)20-13/h7-18H,5-6H2,1-4H3.
What are the key properties of 6-(3-hydroxy-2-methyl-6-propan-2-yloxan-4-yl)oxy-2-methyloxane-3,4-diol?
6-(3-hydroxy-2-methyl-6-propan-2-yloxan-4-yl)oxy-2-methyloxane-3,4-diol has a molecular weight of 304.38 g/mol, XLogP of 0.42, 3 rotatable bonds, 3 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 6-(3-hydroxy-2-methyl-6-propan-2-yloxan-4-yl)oxy-2-methyloxane-3,4-diol is sourced from PubChem (CID 162710756), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).