3-ethylsulfanyl-1-(oxan-3-yl)propan-1-ol

C10H20O2S — CID 107135741

IUPAC3-ethylsulfanyl-1-(oxan-3-yl)propan-1-ol
SMILESCCSCCC(O)C1CCCOC1
InChIInChI=1S/C10H20O2S/c1-2-13-7-5-10(11)9-4-3-6-12-8-9/h9-11H,2-8H2,1H3
InChIKeyWTVSZWCYARNWBT-UHFFFAOYSA-N
MW204.33 g/mol
LogP1.92
Rot. Bonds5

About 3-ethylsulfanyl-1-(oxan-3-yl)propan-1-ol

3-ethylsulfanyl-1-(oxan-3-yl)propan-1-ol (PubChem CID 107135741) has the molecular formula C10H20O2S and a molecular weight of 204.33 g/mol. Its IUPAC name is 3-ethylsulfanyl-1-(oxan-3-yl)propan-1-ol.

Molecular Properties

Compound Name3-ethylsulfanyl-1-(oxan-3-yl)propan-1-ol
PubChem CID107135741
Molecular FormulaC10H20O2S
Molecular Weight204.33 g/mol
Exact Mass204.12
IUPAC Name3-ethylsulfanyl-1-(oxan-3-yl)propan-1-ol
SMILESCCSCCC(O)C1CCCOC1
InChIInChI=1S/C10H20O2S/c1-2-13-7-5-10(11)9-4-3-6-12-8-9/h9-11H,2-8H2,1H3
InChIKeyWTVSZWCYARNWBT-UHFFFAOYSA-N
XLogP1.92
TPSA29.46 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds5
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

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}

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Related Compounds

3-ethylsulfanyl-1-(oxolan-3-yl)propan-1-ol
CID 116504528
N-(4-ethylsulfanylbutan-2-yl)oxan-3-amine
CID 115725520
1-(oxan-3-yl)-2-propan-2-ylsulfanylethanol
CID 107136105
1-(oxan-3-yl)pent-4-yn-1-ol
CID 63901178
2-(dimethylamino)-1-(oxan-3-yl)ethanol
CID 107136154
3-methyl-1-(oxan-3-yl)but-3-en-1-ol
CID 79178468
4-(oxan-3-yl)pentan-2-ol
CID 107137854
butyl 4-hydroxy-4-(oxan-3-yl)butanoate
CID 63739101
2-cyclopentylsulfanyl-1-(oxan-3-yl)ethanol
CID 107136109
ethyl (3S)-3-hydroxy-3-[(3S)-oxan-3-yl]propanoate
CID 124508739
3-hydroxy-3-(oxan-3-yl)propanenitrile
CID 79119299
3-(oxan-3-yl)pentan-2-ol
CID 107137335

Frequently Asked Questions

What is the IUPAC name of 3-ethylsulfanyl-1-(oxan-3-yl)propan-1-ol?
The IUPAC name of 3-ethylsulfanyl-1-(oxan-3-yl)propan-1-ol (CID 107135741) is 3-ethylsulfanyl-1-(oxan-3-yl)propan-1-ol.
What is the SMILES notation for 3-ethylsulfanyl-1-(oxan-3-yl)propan-1-ol?
The canonical SMILES for 3-ethylsulfanyl-1-(oxan-3-yl)propan-1-ol is CCSCCC(O)C1CCCOC1.
What is the InChIKey of 3-ethylsulfanyl-1-(oxan-3-yl)propan-1-ol?
The InChIKey is WTVSZWCYARNWBT-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H20O2S/c1-2-13-7-5-10(11)9-4-3-6-12-8-9/h9-11H,2-8H2,1H3.
What are the key properties of 3-ethylsulfanyl-1-(oxan-3-yl)propan-1-ol?
3-ethylsulfanyl-1-(oxan-3-yl)propan-1-ol has a molecular weight of 204.33 g/mol, XLogP of 1.92, 5 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 3-ethylsulfanyl-1-(oxan-3-yl)propan-1-ol is sourced from PubChem (CID 107135741), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).