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

C11H18O4S — CID 102649648

IUPAC1-(3,4-dihydro-2H-pyran-6-yl)-2-(1,1-dioxothiolan-3-yl)ethanol
SMILESO=S1(=O)CCC(CC(O)C2=CCCCO2)C1
InChIInChI=1S/C11H18O4S/c12-10(11-3-1-2-5-15-11)7-9-4-6-16(13,14)8-9/h3,9-10,12H,1-2,4-8H2
InChIKeyQHXMBDAPNRINEN-UHFFFAOYSA-N
MW246.33 g/mol
LogP0.87
Rot. Bonds3

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

1-(3,4-dihydro-2H-pyran-6-yl)-2-(1,1-dioxothiolan-3-yl)ethanol (PubChem CID 102649648) has the molecular formula C11H18O4S and a molecular weight of 246.33 g/mol. Its IUPAC name is 1-(3,4-dihydro-2H-pyran-6-yl)-2-(1,1-dioxothiolan-3-yl)ethanol.

Molecular Properties

Compound Name1-(3,4-dihydro-2H-pyran-6-yl)-2-(1,1-dioxothiolan-3-yl)ethanol
PubChem CID102649648
Molecular FormulaC11H18O4S
Molecular Weight246.33 g/mol
Exact Mass246.09
IUPAC Name1-(3,4-dihydro-2H-pyran-6-yl)-2-(1,1-dioxothiolan-3-yl)ethanol
SMILESO=S1(=O)CCC(CC(O)C2=CCCCO2)C1
InChIInChI=1S/C11H18O4S/c12-10(11-3-1-2-5-15-11)7-9-4-6-16(13,14)8-9/h3,9-10,12H,1-2,4-8H2
InChIKeyQHXMBDAPNRINEN-UHFFFAOYSA-N
XLogP0.87
TPSA63.60 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500246.33
LogP ≤ 50.87
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

2-cyclohexyl-1-(3,4-dihydro-2H-pyran-6-yl)ethanol
CID 102646644
3,4-dihydro-2H-pyran-6-yl-(1,1-dioxothiolan-3-yl)methanamine
CID 102647940
1-cyclopentyl-3-(1,1-dioxothiolan-3-yl)propan-2-ol
CID 105090384
1-(2,6-dimethoxyphenyl)-2-(1,1-dioxothiolan-3-yl)ethanol
CID 105131622
1-bromo-3-(1,1-dioxothiolan-3-yl)propan-2-ol
CID 155010276
2-(1,1-dioxothiolan-3-yl)-1-naphthalen-1-ylethanol
CID 105092607
1-(1,1-dioxothiolan-3-yl)-3-methylbut-3-en-2-ol
CID 105110471
1-(3,4-dihydro-2H-pyran-6-yl)-3-methylsulfanylpropan-1-ol
CID 102646549
2-(1,1-dioxothiolan-3-yl)-1-(2-methoxy-5-methylphenyl)ethanol
CID 105094959
1-(cyclohepten-1-yl)-2-(1,1-dioxothiolan-3-yl)-N-ethylethanamine
CID 106657086
2-(1,1-dioxothiolan-3-yl)-1-(5-oxaspiro[3.5]nonan-8-yl)ethanol
CID 105112720
2-(1,1-dioxothiolan-3-yl)-1-(3-propylphenyl)ethanol
CID 105131014

Frequently Asked Questions

What is the IUPAC name of 1-(3,4-dihydro-2H-pyran-6-yl)-2-(1,1-dioxothiolan-3-yl)ethanol?
The IUPAC name of 1-(3,4-dihydro-2H-pyran-6-yl)-2-(1,1-dioxothiolan-3-yl)ethanol (CID 102649648) is 1-(3,4-dihydro-2H-pyran-6-yl)-2-(1,1-dioxothiolan-3-yl)ethanol.
What is the SMILES notation for 1-(3,4-dihydro-2H-pyran-6-yl)-2-(1,1-dioxothiolan-3-yl)ethanol?
The canonical SMILES for 1-(3,4-dihydro-2H-pyran-6-yl)-2-(1,1-dioxothiolan-3-yl)ethanol is O=S1(=O)CCC(CC(O)C2=CCCCO2)C1.
What is the InChIKey of 1-(3,4-dihydro-2H-pyran-6-yl)-2-(1,1-dioxothiolan-3-yl)ethanol?
The InChIKey is QHXMBDAPNRINEN-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H18O4S/c12-10(11-3-1-2-5-15-11)7-9-4-6-16(13,14)8-9/h3,9-10,12H,1-2,4-8H2.
What are the key properties of 1-(3,4-dihydro-2H-pyran-6-yl)-2-(1,1-dioxothiolan-3-yl)ethanol?
1-(3,4-dihydro-2H-pyran-6-yl)-2-(1,1-dioxothiolan-3-yl)ethanol has a molecular weight of 246.33 g/mol, XLogP of 0.87, 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-(1,1-dioxothiolan-3-yl)ethanol is sourced from PubChem (CID 102649648), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).