6-methyl-2-(propan-2-yloxymethyl)-3,4-dihydro-2H-pyran-3,4-diol

C10H18O4 — CID 174330457

IUPAC6-methyl-2-(propan-2-yloxymethyl)-3,4-dihydro-2H-pyran-3,4-diol
SMILESCC1=CC(O)C(O)C(COC(C)C)O1
InChIInChI=1S/C10H18O4/c1-6(2)13-5-9-10(12)8(11)4-7(3)14-9/h4,6,8-12H,5H2,1-3H3
InChIKeyBLEDQBRYDPLRKT-UHFFFAOYSA-N
MW202.25 g/mol
LogP0.44
Rot. Bonds3

About 6-methyl-2-(propan-2-yloxymethyl)-3,4-dihydro-2H-pyran-3,4-diol

6-methyl-2-(propan-2-yloxymethyl)-3,4-dihydro-2H-pyran-3,4-diol (PubChem CID 174330457) has the molecular formula C10H18O4 and a molecular weight of 202.25 g/mol. Its IUPAC name is 6-methyl-2-(propan-2-yloxymethyl)-3,4-dihydro-2H-pyran-3,4-diol.

Molecular Properties

Compound Name6-methyl-2-(propan-2-yloxymethyl)-3,4-dihydro-2H-pyran-3,4-diol
PubChem CID174330457
Molecular FormulaC10H18O4
Molecular Weight202.25 g/mol
Exact Mass202.12
IUPAC Name6-methyl-2-(propan-2-yloxymethyl)-3,4-dihydro-2H-pyran-3,4-diol
SMILESCC1=CC(O)C(O)C(COC(C)C)O1
InChIInChI=1S/C10H18O4/c1-6(2)13-5-9-10(12)8(11)4-7(3)14-9/h4,6,8-12H,5H2,1-3H3
InChIKeyBLEDQBRYDPLRKT-UHFFFAOYSA-N
XLogP0.44
TPSA58.92 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500202.25
LogP ≤ 50.44
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 6-methyl-2-(propan-2-yloxymethyl)-3,4-dihydro-2H-pyran-3,4-diol?
The IUPAC name of 6-methyl-2-(propan-2-yloxymethyl)-3,4-dihydro-2H-pyran-3,4-diol (CID 174330457) is 6-methyl-2-(propan-2-yloxymethyl)-3,4-dihydro-2H-pyran-3,4-diol.
What is the SMILES notation for 6-methyl-2-(propan-2-yloxymethyl)-3,4-dihydro-2H-pyran-3,4-diol?
The canonical SMILES for 6-methyl-2-(propan-2-yloxymethyl)-3,4-dihydro-2H-pyran-3,4-diol is CC1=CC(O)C(O)C(COC(C)C)O1.
What is the InChIKey of 6-methyl-2-(propan-2-yloxymethyl)-3,4-dihydro-2H-pyran-3,4-diol?
The InChIKey is BLEDQBRYDPLRKT-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H18O4/c1-6(2)13-5-9-10(12)8(11)4-7(3)14-9/h4,6,8-12H,5H2,1-3H3.
What are the key properties of 6-methyl-2-(propan-2-yloxymethyl)-3,4-dihydro-2H-pyran-3,4-diol?
6-methyl-2-(propan-2-yloxymethyl)-3,4-dihydro-2H-pyran-3,4-diol has a molecular weight of 202.25 g/mol, XLogP of 0.44, 3 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 6-methyl-2-(propan-2-yloxymethyl)-3,4-dihydro-2H-pyran-3,4-diol is sourced from PubChem (CID 174330457), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).