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

C9H18O2S — CID 116504528

IUPAC3-ethylsulfanyl-1-(oxolan-3-yl)propan-1-ol
SMILESCCSCCC(O)C1CCOC1
InChIInChI=1S/C9H18O2S/c1-2-12-6-4-9(10)8-3-5-11-7-8/h8-10H,2-7H2,1H3
InChIKeyJNICYYMMGSWIGB-UHFFFAOYSA-N
MW190.31 g/mol
LogP1.53
Rot. Bonds5

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

3-ethylsulfanyl-1-(oxolan-3-yl)propan-1-ol (PubChem CID 116504528) has the molecular formula C9H18O2S and a molecular weight of 190.31 g/mol. Its IUPAC name is 3-ethylsulfanyl-1-(oxolan-3-yl)propan-1-ol.

Molecular Properties

Compound Name3-ethylsulfanyl-1-(oxolan-3-yl)propan-1-ol
PubChem CID116504528
Molecular FormulaC9H18O2S
Molecular Weight190.31 g/mol
Exact Mass190.10
IUPAC Name3-ethylsulfanyl-1-(oxolan-3-yl)propan-1-ol
SMILESCCSCCC(O)C1CCOC1
InChIInChI=1S/C9H18O2S/c1-2-12-6-4-9(10)8-3-5-11-7-8/h8-10H,2-7H2,1H3
InChIKeyJNICYYMMGSWIGB-UHFFFAOYSA-N
XLogP1.53
TPSA29.46 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms12
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500190.31
LogP ≤ 51.53
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-(oxan-3-yl)propan-1-ol
CID 107135741
1-(oxolan-3-yl)pent-4-en-1-ol
CID 65330730
4-methoxy-1-(oxolan-3-yl)pentan-1-ol
CID 105097696
1-(oxolan-3-yl)but-3-en-1-ol
CID 65329899
1-(oxan-4-yl)-2-propylsulfanylethanol
CID 65129416
(1S)-2-bromo-1-[(3S)-oxolan-3-yl]ethanol
CID 124679633
(1S)-2-amino-1-[(3R)-oxolan-3-yl]ethanol
CID 93046962
1-(oxolan-3-yl)-2-propylpentan-1-ol
CID 115798272
4-ethylsulfanyl-2-N-methyl-2-N-(oxolan-3-yl)butane-1,2-diamine
CID 116504217
2-(2-methylpentylamino)-1-(oxolan-3-yl)ethanol
CID 115907653
2-[methyl(propyl)amino]-1-(oxolan-3-yl)ethanol
CID 104752489
(1S)-1-[(3R)-oxolan-3-yl]ethanol
CID 95763789

Frequently Asked Questions

What is the IUPAC name of 3-ethylsulfanyl-1-(oxolan-3-yl)propan-1-ol?
The IUPAC name of 3-ethylsulfanyl-1-(oxolan-3-yl)propan-1-ol (CID 116504528) is 3-ethylsulfanyl-1-(oxolan-3-yl)propan-1-ol.
What is the SMILES notation for 3-ethylsulfanyl-1-(oxolan-3-yl)propan-1-ol?
The canonical SMILES for 3-ethylsulfanyl-1-(oxolan-3-yl)propan-1-ol is CCSCCC(O)C1CCOC1.
What is the InChIKey of 3-ethylsulfanyl-1-(oxolan-3-yl)propan-1-ol?
The InChIKey is JNICYYMMGSWIGB-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H18O2S/c1-2-12-6-4-9(10)8-3-5-11-7-8/h8-10H,2-7H2,1H3.
What are the key properties of 3-ethylsulfanyl-1-(oxolan-3-yl)propan-1-ol?
3-ethylsulfanyl-1-(oxolan-3-yl)propan-1-ol has a molecular weight of 190.31 g/mol, XLogP of 1.53, 5 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 3-ethylsulfanyl-1-(oxolan-3-yl)propan-1-ol is sourced from PubChem (CID 116504528), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).