(6-ethylsulfanyloxan-2-yl)methanol

C8H16O2S — CID 91400051

IUPAC(6-ethylsulfanyloxan-2-yl)methanol
SMILESCCSC1CCCC(CO)O1
InChIInChI=1S/C8H16O2S/c1-2-11-8-5-3-4-7(6-9)10-8/h7-9H,2-6H2,1H3
InChIKeyOFTQWVQFXASMNE-UHFFFAOYSA-N
MW176.28 g/mol
LogP1.63
Rot. Bonds3

About (6-ethylsulfanyloxan-2-yl)methanol

(6-ethylsulfanyloxan-2-yl)methanol (PubChem CID 91400051) has the molecular formula C8H16O2S and a molecular weight of 176.28 g/mol. Its IUPAC name is (6-ethylsulfanyloxan-2-yl)methanol.

Molecular Properties

Compound Name(6-ethylsulfanyloxan-2-yl)methanol
PubChem CID91400051
Molecular FormulaC8H16O2S
Molecular Weight176.28 g/mol
Exact Mass176.09
IUPAC Name(6-ethylsulfanyloxan-2-yl)methanol
SMILESCCSC1CCCC(CO)O1
InChIInChI=1S/C8H16O2S/c1-2-11-8-5-3-4-7(6-9)10-8/h7-9H,2-6H2,1H3
InChIKeyOFTQWVQFXASMNE-UHFFFAOYSA-N
XLogP1.63
TPSA29.46 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms11
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500176.28
LogP ≤ 51.63
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of (6-ethylsulfanyloxan-2-yl)methanol?
The IUPAC name of (6-ethylsulfanyloxan-2-yl)methanol (CID 91400051) is (6-ethylsulfanyloxan-2-yl)methanol.
What is the SMILES notation for (6-ethylsulfanyloxan-2-yl)methanol?
The canonical SMILES for (6-ethylsulfanyloxan-2-yl)methanol is CCSC1CCCC(CO)O1.
What is the InChIKey of (6-ethylsulfanyloxan-2-yl)methanol?
The InChIKey is OFTQWVQFXASMNE-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H16O2S/c1-2-11-8-5-3-4-7(6-9)10-8/h7-9H,2-6H2,1H3.
What are the key properties of (6-ethylsulfanyloxan-2-yl)methanol?
(6-ethylsulfanyloxan-2-yl)methanol has a molecular weight of 176.28 g/mol, XLogP of 1.63, 3 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for (6-ethylsulfanyloxan-2-yl)methanol is sourced from PubChem (CID 91400051), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).