3,4-dihydro-2H-pyran-6-yl(thiolan-2-yl)methanol

C10H16O2S — CID 102649744

IUPAC3,4-dihydro-2H-pyran-6-yl(thiolan-2-yl)methanol
SMILESOC(C1=CCCCO1)C1CCCS1
InChIInChI=1S/C10H16O2S/c11-10(9-5-3-7-13-9)8-4-1-2-6-12-8/h4,9-11H,1-3,5-7H2
InChIKeyWZLAAFOOQRBFQP-UHFFFAOYSA-N
MW200.30 g/mol
LogP1.94
Rot. Bonds2

About 3,4-dihydro-2H-pyran-6-yl(thiolan-2-yl)methanol

3,4-dihydro-2H-pyran-6-yl(thiolan-2-yl)methanol (PubChem CID 102649744) has the molecular formula C10H16O2S and a molecular weight of 200.30 g/mol. Its IUPAC name is 3,4-dihydro-2H-pyran-6-yl(thiolan-2-yl)methanol.

Molecular Properties

Compound Name3,4-dihydro-2H-pyran-6-yl(thiolan-2-yl)methanol
PubChem CID102649744
Molecular FormulaC10H16O2S
Molecular Weight200.30 g/mol
Exact Mass200.09
IUPAC Name3,4-dihydro-2H-pyran-6-yl(thiolan-2-yl)methanol
SMILESOC(C1=CCCCO1)C1CCCS1
InChIInChI=1S/C10H16O2S/c11-10(9-5-3-7-13-9)8-4-1-2-6-12-8/h4,9-11H,1-3,5-7H2
InChIKeyWZLAAFOOQRBFQP-UHFFFAOYSA-N
XLogP1.94
TPSA29.46 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500200.30
LogP ≤ 51.94
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 3,4-dihydro-2H-pyran-6-yl(thiolan-2-yl)methanol?
The IUPAC name of 3,4-dihydro-2H-pyran-6-yl(thiolan-2-yl)methanol (CID 102649744) is 3,4-dihydro-2H-pyran-6-yl(thiolan-2-yl)methanol.
What is the SMILES notation for 3,4-dihydro-2H-pyran-6-yl(thiolan-2-yl)methanol?
The canonical SMILES for 3,4-dihydro-2H-pyran-6-yl(thiolan-2-yl)methanol is OC(C1=CCCCO1)C1CCCS1.
What is the InChIKey of 3,4-dihydro-2H-pyran-6-yl(thiolan-2-yl)methanol?
The InChIKey is WZLAAFOOQRBFQP-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H16O2S/c11-10(9-5-3-7-13-9)8-4-1-2-6-12-8/h4,9-11H,1-3,5-7H2.
What are the key properties of 3,4-dihydro-2H-pyran-6-yl(thiolan-2-yl)methanol?
3,4-dihydro-2H-pyran-6-yl(thiolan-2-yl)methanol has a molecular weight of 200.30 g/mol, XLogP of 1.94, 2 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 3,4-dihydro-2H-pyran-6-yl(thiolan-2-yl)methanol is sourced from PubChem (CID 102649744), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).