(1R)-1-(3-butylsulfanyloxolan-3-yl)ethanol

C10H20O2S — CID 71201659

IUPAC(1R)-1-(3-butylsulfanyloxolan-3-yl)ethanol
SMILESCCCCSC1([C@@H](C)O)CCOC1
InChIInChI=1S/C10H20O2S/c1-3-4-7-13-10(9(2)11)5-6-12-8-10/h9,11H,3-8H2,1-2H3/t9-,10?/m1/s1
InChIKeyZRSGTLGTDAOGIH-YHMJZVADSA-N
MW204.33 g/mol
LogP2.06
Rot. Bonds5

About (1R)-1-(3-butylsulfanyloxolan-3-yl)ethanol

(1R)-1-(3-butylsulfanyloxolan-3-yl)ethanol (PubChem CID 71201659) has the molecular formula C10H20O2S and a molecular weight of 204.33 g/mol. Its IUPAC name is (1R)-1-(3-butylsulfanyloxolan-3-yl)ethanol.

Molecular Properties

Compound Name(1R)-1-(3-butylsulfanyloxolan-3-yl)ethanol
PubChem CID71201659
Molecular FormulaC10H20O2S
Molecular Weight204.33 g/mol
Exact Mass204.12
IUPAC Name(1R)-1-(3-butylsulfanyloxolan-3-yl)ethanol
SMILESCCCCSC1([C@@H](C)O)CCOC1
InChIInChI=1S/C10H20O2S/c1-3-4-7-13-10(9(2)11)5-6-12-8-10/h9,11H,3-8H2,1-2H3/t9-,10?/m1/s1
InChIKeyZRSGTLGTDAOGIH-YHMJZVADSA-N
XLogP2.06
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 ≤ 52.06
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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Frequently Asked Questions

What is the IUPAC name of (1R)-1-(3-butylsulfanyloxolan-3-yl)ethanol?
The IUPAC name of (1R)-1-(3-butylsulfanyloxolan-3-yl)ethanol (CID 71201659) is (1R)-1-(3-butylsulfanyloxolan-3-yl)ethanol.
What is the SMILES notation for (1R)-1-(3-butylsulfanyloxolan-3-yl)ethanol?
The canonical SMILES for (1R)-1-(3-butylsulfanyloxolan-3-yl)ethanol is CCCCSC1([C@@H](C)O)CCOC1.
What is the InChIKey of (1R)-1-(3-butylsulfanyloxolan-3-yl)ethanol?
The InChIKey is ZRSGTLGTDAOGIH-YHMJZVADSA-N. The full InChI is InChI=1S/C10H20O2S/c1-3-4-7-13-10(9(2)11)5-6-12-8-10/h9,11H,3-8H2,1-2H3/t9-,10?/m1/s1.
What are the key properties of (1R)-1-(3-butylsulfanyloxolan-3-yl)ethanol?
(1R)-1-(3-butylsulfanyloxolan-3-yl)ethanol has a molecular weight of 204.33 g/mol, XLogP of 2.06, 5 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for (1R)-1-(3-butylsulfanyloxolan-3-yl)ethanol is sourced from PubChem (CID 71201659), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).