2-cyclopentylsulfanyl-1-(oxan-3-yl)ethanol

C12H22O2S — CID 107136109

IUPAC2-cyclopentylsulfanyl-1-(oxan-3-yl)ethanol
SMILESOC(CSC1CCCC1)C1CCCOC1
InChIInChI=1S/C12H22O2S/c13-12(10-4-3-7-14-8-10)9-15-11-5-1-2-6-11/h10-13H,1-9H2
InChIKeyBVMCPBUUIKPGEE-UHFFFAOYSA-N
MW230.37 g/mol
LogP2.45
Rot. Bonds4

About 2-cyclopentylsulfanyl-1-(oxan-3-yl)ethanol

2-cyclopentylsulfanyl-1-(oxan-3-yl)ethanol (PubChem CID 107136109) has the molecular formula C12H22O2S and a molecular weight of 230.37 g/mol. Its IUPAC name is 2-cyclopentylsulfanyl-1-(oxan-3-yl)ethanol.

Molecular Properties

Compound Name2-cyclopentylsulfanyl-1-(oxan-3-yl)ethanol
PubChem CID107136109
Molecular FormulaC12H22O2S
Molecular Weight230.37 g/mol
Exact Mass230.13
IUPAC Name2-cyclopentylsulfanyl-1-(oxan-3-yl)ethanol
SMILESOC(CSC1CCCC1)C1CCCOC1
InChIInChI=1S/C12H22O2S/c13-12(10-4-3-7-14-8-10)9-15-11-5-1-2-6-11/h10-13H,1-9H2
InChIKeyBVMCPBUUIKPGEE-UHFFFAOYSA-N
XLogP2.45
TPSA29.46 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500230.37
LogP ≤ 52.45
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

1-(oxan-3-yl)-2-propan-2-ylsulfanylethanol
CID 107136105
[2-cyclopentylsulfanyl-1-(oxan-3-yl)ethyl]hydrazine
CID 107139567
2-cyclohexylsulfanyl-1-cyclopropylethanol
CID 65139988
N-[2-cyclopentylsulfanyl-1-(oxan-3-yl)ethyl]propan-1-amine
CID 107136426
1-(oxan-3-yl)pent-4-yn-1-ol
CID 63901178
2-cyclopentylsulfanyl-1-(3,5-dimethylcyclohexyl)ethanol
CID 65139084
2-(dimethylamino)-1-(oxan-3-yl)ethanol
CID 107136154
3-hydroxy-3-(oxan-3-yl)propanenitrile
CID 79119299
3-methyl-1-(oxan-3-yl)but-3-en-1-ol
CID 79178468
3-ethylsulfanyl-1-(oxan-3-yl)propan-1-ol
CID 107135741
2-cyclopent-3-en-1-yl-1-(oxan-3-yl)ethanol
CID 164652637
2-cyclohexylsulfanyl-1-(3,4-dimethylcyclohexyl)ethanol
CID 65139493

Frequently Asked Questions

What is the IUPAC name of 2-cyclopentylsulfanyl-1-(oxan-3-yl)ethanol?
The IUPAC name of 2-cyclopentylsulfanyl-1-(oxan-3-yl)ethanol (CID 107136109) is 2-cyclopentylsulfanyl-1-(oxan-3-yl)ethanol.
What is the SMILES notation for 2-cyclopentylsulfanyl-1-(oxan-3-yl)ethanol?
The canonical SMILES for 2-cyclopentylsulfanyl-1-(oxan-3-yl)ethanol is OC(CSC1CCCC1)C1CCCOC1.
What is the InChIKey of 2-cyclopentylsulfanyl-1-(oxan-3-yl)ethanol?
The InChIKey is BVMCPBUUIKPGEE-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H22O2S/c13-12(10-4-3-7-14-8-10)9-15-11-5-1-2-6-11/h10-13H,1-9H2.
What are the key properties of 2-cyclopentylsulfanyl-1-(oxan-3-yl)ethanol?
2-cyclopentylsulfanyl-1-(oxan-3-yl)ethanol has a molecular weight of 230.37 g/mol, XLogP of 2.45, 4 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-cyclopentylsulfanyl-1-(oxan-3-yl)ethanol is sourced from PubChem (CID 107136109), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).