1-(oxan-3-yl)-2-propan-2-ylsulfanylethanol

C10H20O2S — CID 107136105

IUPAC1-(oxan-3-yl)-2-propan-2-ylsulfanylethanol
SMILESCC(C)SCC(O)C1CCCOC1
InChIInChI=1S/C10H20O2S/c1-8(2)13-7-10(11)9-4-3-5-12-6-9/h8-11H,3-7H2,1-2H3
InChIKeyVQCOJQGMWRFVKF-UHFFFAOYSA-N
MW204.33 g/mol
LogP1.92
Rot. Bonds4

About 1-(oxan-3-yl)-2-propan-2-ylsulfanylethanol

1-(oxan-3-yl)-2-propan-2-ylsulfanylethanol (PubChem CID 107136105) has the molecular formula C10H20O2S and a molecular weight of 204.33 g/mol. Its IUPAC name is 1-(oxan-3-yl)-2-propan-2-ylsulfanylethanol.

Molecular Properties

Compound Name1-(oxan-3-yl)-2-propan-2-ylsulfanylethanol
PubChem CID107136105
Molecular FormulaC10H20O2S
Molecular Weight204.33 g/mol
Exact Mass204.12
IUPAC Name1-(oxan-3-yl)-2-propan-2-ylsulfanylethanol
SMILESCC(C)SCC(O)C1CCCOC1
InChIInChI=1S/C10H20O2S/c1-8(2)13-7-10(11)9-4-3-5-12-6-9/h8-11H,3-7H2,1-2H3
InChIKeyVQCOJQGMWRFVKF-UHFFFAOYSA-N
XLogP1.92
TPSA29.46 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500204.33
LogP ≤ 51.92
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

1-(oxan-3-yl)-2-propan-2-ylsulfanylethanamine
CID 107136409
2-cyclopentylsulfanyl-1-(oxan-3-yl)ethanol
CID 107136109
2-(dimethylamino)-1-(oxan-3-yl)ethanol
CID 107136154
3-(oxan-3-yl)pentan-2-ol
CID 107137335
3-methyl-1-(oxan-3-yl)but-3-en-1-ol
CID 79178468
3-ethylsulfanyl-1-(oxan-3-yl)propan-1-ol
CID 107135741
4-(oxan-3-yl)pentan-2-ol
CID 107137854
2-cyclopent-3-en-1-yl-1-(oxan-3-yl)ethanol
CID 164652637
4-methyl-3-(oxan-3-yl)pentan-2-ol
CID 107137352
3-hydroxy-3-(oxan-3-yl)propanenitrile
CID 79119299
1-fluoro-1-(oxan-3-yl)propan-2-ol
CID 105431923
ethane;3-propan-2-yloxane
CID 143985480

Frequently Asked Questions

What is the IUPAC name of 1-(oxan-3-yl)-2-propan-2-ylsulfanylethanol?
The IUPAC name of 1-(oxan-3-yl)-2-propan-2-ylsulfanylethanol (CID 107136105) is 1-(oxan-3-yl)-2-propan-2-ylsulfanylethanol.
What is the SMILES notation for 1-(oxan-3-yl)-2-propan-2-ylsulfanylethanol?
The canonical SMILES for 1-(oxan-3-yl)-2-propan-2-ylsulfanylethanol is CC(C)SCC(O)C1CCCOC1.
What is the InChIKey of 1-(oxan-3-yl)-2-propan-2-ylsulfanylethanol?
The InChIKey is VQCOJQGMWRFVKF-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H20O2S/c1-8(2)13-7-10(11)9-4-3-5-12-6-9/h8-11H,3-7H2,1-2H3.
What are the key properties of 1-(oxan-3-yl)-2-propan-2-ylsulfanylethanol?
1-(oxan-3-yl)-2-propan-2-ylsulfanylethanol has a molecular weight of 204.33 g/mol, XLogP of 1.92, 4 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(oxan-3-yl)-2-propan-2-ylsulfanylethanol is sourced from PubChem (CID 107136105), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).