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

C8H14O4S — CID 102649846

IUPAC1-(3,4-dihydro-2H-pyran-6-yl)-2-methylsulfonylethanol
SMILESCS(=O)(=O)CC(O)C1=CCCCO1
InChIInChI=1S/C8H14O4S/c1-13(10,11)6-7(9)8-4-2-3-5-12-8/h4,7,9H,2-3,5-6H2,1H3
InChIKeyHAVDZYACLRVEPG-UHFFFAOYSA-N
MW206.26 g/mol
LogP0.09
Rot. Bonds3

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

1-(3,4-dihydro-2H-pyran-6-yl)-2-methylsulfonylethanol (PubChem CID 102649846) has the molecular formula C8H14O4S and a molecular weight of 206.26 g/mol. Its IUPAC name is 1-(3,4-dihydro-2H-pyran-6-yl)-2-methylsulfonylethanol.

Molecular Properties

Compound Name1-(3,4-dihydro-2H-pyran-6-yl)-2-methylsulfonylethanol
PubChem CID102649846
Molecular FormulaC8H14O4S
Molecular Weight206.26 g/mol
Exact Mass206.06
IUPAC Name1-(3,4-dihydro-2H-pyran-6-yl)-2-methylsulfonylethanol
SMILESCS(=O)(=O)CC(O)C1=CCCCO1
InChIInChI=1S/C8H14O4S/c1-13(10,11)6-7(9)8-4-2-3-5-12-8/h4,7,9H,2-3,5-6H2,1H3
InChIKeyHAVDZYACLRVEPG-UHFFFAOYSA-N
XLogP0.09
TPSA63.60 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500206.26
LogP ≤ 50.09
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-methylsulfonylethanol?
The IUPAC name of 1-(3,4-dihydro-2H-pyran-6-yl)-2-methylsulfonylethanol (CID 102649846) is 1-(3,4-dihydro-2H-pyran-6-yl)-2-methylsulfonylethanol.
What is the SMILES notation for 1-(3,4-dihydro-2H-pyran-6-yl)-2-methylsulfonylethanol?
The canonical SMILES for 1-(3,4-dihydro-2H-pyran-6-yl)-2-methylsulfonylethanol is CS(=O)(=O)CC(O)C1=CCCCO1.
What is the InChIKey of 1-(3,4-dihydro-2H-pyran-6-yl)-2-methylsulfonylethanol?
The InChIKey is HAVDZYACLRVEPG-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H14O4S/c1-13(10,11)6-7(9)8-4-2-3-5-12-8/h4,7,9H,2-3,5-6H2,1H3.
What are the key properties of 1-(3,4-dihydro-2H-pyran-6-yl)-2-methylsulfonylethanol?
1-(3,4-dihydro-2H-pyran-6-yl)-2-methylsulfonylethanol has a molecular weight of 206.26 g/mol, XLogP of 0.09, 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-methylsulfonylethanol is sourced from PubChem (CID 102649846), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).