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

C9H16O2S — CID 102646549

IUPAC1-(3,4-dihydro-2H-pyran-6-yl)-3-methylsulfanylpropan-1-ol
SMILESCSCCC(O)C1=CCCCO1
InChIInChI=1S/C9H16O2S/c1-12-7-5-8(10)9-4-2-3-6-11-9/h4,8,10H,2-3,5-7H2,1H3
InChIKeyFQMGSDMSPFWSDK-UHFFFAOYSA-N
MW188.29 g/mol
LogP1.79
Rot. Bonds4

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

1-(3,4-dihydro-2H-pyran-6-yl)-3-methylsulfanylpropan-1-ol (PubChem CID 102646549) has the molecular formula C9H16O2S and a molecular weight of 188.29 g/mol. Its IUPAC name is 1-(3,4-dihydro-2H-pyran-6-yl)-3-methylsulfanylpropan-1-ol.

Molecular Properties

Compound Name1-(3,4-dihydro-2H-pyran-6-yl)-3-methylsulfanylpropan-1-ol
PubChem CID102646549
Molecular FormulaC9H16O2S
Molecular Weight188.29 g/mol
Exact Mass188.09
IUPAC Name1-(3,4-dihydro-2H-pyran-6-yl)-3-methylsulfanylpropan-1-ol
SMILESCSCCC(O)C1=CCCCO1
InChIInChI=1S/C9H16O2S/c1-12-7-5-8(10)9-4-2-3-6-11-9/h4,8,10H,2-3,5-7H2,1H3
InChIKeyFQMGSDMSPFWSDK-UHFFFAOYSA-N
XLogP1.79
TPSA29.46 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms12
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500188.29
LogP ≤ 51.79
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

1-(3,4-dihydro-2H-pyran-6-yl)nonan-1-ol
CID 102649817
1-(3,4-dihydro-2H-pyran-6-yl)octan-1-ol
CID 102646548
2-cyclohexyl-1-(3,4-dihydro-2H-pyran-6-yl)ethanol
CID 102646644
1-(3,4-dihydro-2H-pyran-6-yl)-3-(3-methylphenoxy)propan-1-ol
CID 102649671
1-(3,4-dihydro-2H-pyran-6-yl)-3-pyridin-2-ylpropan-1-ol
CID 102649748
2-(4-tert-butyl-2,6-dimethylphenyl)-1-(3,4-dihydro-2H-pyran-6-yl)ethanol
CID 102654604
1-(3,4-dihydro-2H-pyran-6-yl)-3-methylbutane-1,2-diol
CID 103456632
3,4-dihydro-2H-pyran-6-yl-(1-methylcyclopropyl)methanol
CID 102654803
(E)-1-(3,4-dihydro-2H-pyran-6-yl)but-2-en-1-ol
CID 130123097
1-(3,4-dihydro-2H-pyran-6-yl)-2-(3,4-dimethoxyphenyl)ethanol
CID 102649751
2-(aminomethyl)-1-(3,4-dihydro-2H-pyran-6-yl)-3-methylbutan-1-ol
CID 107443210
(1S)-1-(3,4-dihydro-2H-pyran-6-yl)-2,2,2-trifluoroethanol
CID 102654858

Frequently Asked Questions

What is the IUPAC name of 1-(3,4-dihydro-2H-pyran-6-yl)-3-methylsulfanylpropan-1-ol?
The IUPAC name of 1-(3,4-dihydro-2H-pyran-6-yl)-3-methylsulfanylpropan-1-ol (CID 102646549) is 1-(3,4-dihydro-2H-pyran-6-yl)-3-methylsulfanylpropan-1-ol.
What is the SMILES notation for 1-(3,4-dihydro-2H-pyran-6-yl)-3-methylsulfanylpropan-1-ol?
The canonical SMILES for 1-(3,4-dihydro-2H-pyran-6-yl)-3-methylsulfanylpropan-1-ol is CSCCC(O)C1=CCCCO1.
What is the InChIKey of 1-(3,4-dihydro-2H-pyran-6-yl)-3-methylsulfanylpropan-1-ol?
The InChIKey is FQMGSDMSPFWSDK-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H16O2S/c1-12-7-5-8(10)9-4-2-3-6-11-9/h4,8,10H,2-3,5-7H2,1H3.
What are the key properties of 1-(3,4-dihydro-2H-pyran-6-yl)-3-methylsulfanylpropan-1-ol?
1-(3,4-dihydro-2H-pyran-6-yl)-3-methylsulfanylpropan-1-ol has a molecular weight of 188.29 g/mol, XLogP of 1.79, 4 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(3,4-dihydro-2H-pyran-6-yl)-3-methylsulfanylpropan-1-ol is sourced from PubChem (CID 102646549), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).