1-(3,4-dihydro-2H-pyran-6-yl)-2-methylsulfonylpropan-1-ol

C9H16O4S — CID 102649794

IUPAC1-(3,4-dihydro-2H-pyran-6-yl)-2-methylsulfonylpropan-1-ol
SMILESCC(C(O)C1=CCCCO1)S(C)(=O)=O
InChIInChI=1S/C9H16O4S/c1-7(14(2,11)12)9(10)8-5-3-4-6-13-8/h5,7,9-10H,3-4,6H2,1-2H3
InChIKeyWRAQJXPDWBJRAW-UHFFFAOYSA-N
MW220.29 g/mol
LogP0.47
Rot. Bonds3

About 1-(3,4-dihydro-2H-pyran-6-yl)-2-methylsulfonylpropan-1-ol

1-(3,4-dihydro-2H-pyran-6-yl)-2-methylsulfonylpropan-1-ol (PubChem CID 102649794) has the molecular formula C9H16O4S and a molecular weight of 220.29 g/mol. Its IUPAC name is 1-(3,4-dihydro-2H-pyran-6-yl)-2-methylsulfonylpropan-1-ol.

Molecular Properties

Compound Name1-(3,4-dihydro-2H-pyran-6-yl)-2-methylsulfonylpropan-1-ol
PubChem CID102649794
Molecular FormulaC9H16O4S
Molecular Weight220.29 g/mol
Exact Mass220.08
IUPAC Name1-(3,4-dihydro-2H-pyran-6-yl)-2-methylsulfonylpropan-1-ol
SMILESCC(C(O)C1=CCCCO1)S(C)(=O)=O
InChIInChI=1S/C9H16O4S/c1-7(14(2,11)12)9(10)8-5-3-4-6-13-8/h5,7,9-10H,3-4,6H2,1-2H3
InChIKeyWRAQJXPDWBJRAW-UHFFFAOYSA-N
XLogP0.47
TPSA63.60 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500220.29
LogP ≤ 50.47
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 1-(3,4-dihydro-2H-pyran-6-yl)-2-methylsulfonylpropan-1-ol?
The IUPAC name of 1-(3,4-dihydro-2H-pyran-6-yl)-2-methylsulfonylpropan-1-ol (CID 102649794) is 1-(3,4-dihydro-2H-pyran-6-yl)-2-methylsulfonylpropan-1-ol.
What is the SMILES notation for 1-(3,4-dihydro-2H-pyran-6-yl)-2-methylsulfonylpropan-1-ol?
The canonical SMILES for 1-(3,4-dihydro-2H-pyran-6-yl)-2-methylsulfonylpropan-1-ol is CC(C(O)C1=CCCCO1)S(C)(=O)=O.
What is the InChIKey of 1-(3,4-dihydro-2H-pyran-6-yl)-2-methylsulfonylpropan-1-ol?
The InChIKey is WRAQJXPDWBJRAW-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H16O4S/c1-7(14(2,11)12)9(10)8-5-3-4-6-13-8/h5,7,9-10H,3-4,6H2,1-2H3.
What are the key properties of 1-(3,4-dihydro-2H-pyran-6-yl)-2-methylsulfonylpropan-1-ol?
1-(3,4-dihydro-2H-pyran-6-yl)-2-methylsulfonylpropan-1-ol has a molecular weight of 220.29 g/mol, XLogP of 0.47, 3 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(3,4-dihydro-2H-pyran-6-yl)-2-methylsulfonylpropan-1-ol is sourced from PubChem (CID 102649794), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).