3-(oxolan-2-yl)-1-(thiolan-3-yl)propan-1-ol

C11H20O2S — CID 105105032

IUPAC3-(oxolan-2-yl)-1-(thiolan-3-yl)propan-1-ol
SMILESOC(CCC1CCCO1)C1CCSC1
InChIInChI=1S/C11H20O2S/c12-11(9-5-7-14-8-9)4-3-10-2-1-6-13-10/h9-12H,1-8H2
InChIKeyJFTWBSWNODIRQW-UHFFFAOYSA-N
MW216.35 g/mol
LogP2.06
Rot. Bonds4

About 3-(oxolan-2-yl)-1-(thiolan-3-yl)propan-1-ol

3-(oxolan-2-yl)-1-(thiolan-3-yl)propan-1-ol (PubChem CID 105105032) has the molecular formula C11H20O2S and a molecular weight of 216.35 g/mol. Its IUPAC name is 3-(oxolan-2-yl)-1-(thiolan-3-yl)propan-1-ol.

Molecular Properties

Compound Name3-(oxolan-2-yl)-1-(thiolan-3-yl)propan-1-ol
PubChem CID105105032
Molecular FormulaC11H20O2S
Molecular Weight216.35 g/mol
Exact Mass216.12
IUPAC Name3-(oxolan-2-yl)-1-(thiolan-3-yl)propan-1-ol
SMILESOC(CCC1CCCO1)C1CCSC1
InChIInChI=1S/C11H20O2S/c12-11(9-5-7-14-8-9)4-3-10-2-1-6-13-10/h9-12H,1-8H2
InChIKeyJFTWBSWNODIRQW-UHFFFAOYSA-N
XLogP2.06
TPSA29.46 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500216.35
LogP ≤ 52.06
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

1-cyclohexyl-3-(oxan-2-yl)propan-1-ol
CID 115802147
1-(4-methylthiomorpholin-3-yl)-3-(oxolan-2-yl)propan-1-ol
CID 103595653
1-cyclobutyl-4-(oxolan-2-yl)butan-1-ol
CID 65167122
3-(oxolan-2-yl)-1-piperidin-3-ylpropan-1-ol
CID 80559198
1-(1,1-dioxothiolan-3-yl)-3-(oxolan-2-yl)propan-1-ol
CID 115336434
4-(oxolan-2-yl)-1-[4-(trifluoromethyl)cyclohexyl]butan-1-ol
CID 105104877
3-amino-1-(thiolan-3-yl)propan-1-ol
CID 82652261
5-(oxolan-2-yl)pent-1-en-3-ol
CID 115814822
1-(oxolan-2-yl)heptane-3,4-diol
CID 103454796
2-(4-chloro-4-cyclopropylbutyl)oxolane
CID 64506432
1-(6-bicyclo[3.1.0]hexanyl)-4-(oxolan-2-yl)butan-1-ol
CID 115808964
1,5-bis(oxolan-2-yl)pentan-3-amine
CID 104993652

Frequently Asked Questions

What is the IUPAC name of 3-(oxolan-2-yl)-1-(thiolan-3-yl)propan-1-ol?
The IUPAC name of 3-(oxolan-2-yl)-1-(thiolan-3-yl)propan-1-ol (CID 105105032) is 3-(oxolan-2-yl)-1-(thiolan-3-yl)propan-1-ol.
What is the SMILES notation for 3-(oxolan-2-yl)-1-(thiolan-3-yl)propan-1-ol?
The canonical SMILES for 3-(oxolan-2-yl)-1-(thiolan-3-yl)propan-1-ol is OC(CCC1CCCO1)C1CCSC1.
What is the InChIKey of 3-(oxolan-2-yl)-1-(thiolan-3-yl)propan-1-ol?
The InChIKey is JFTWBSWNODIRQW-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H20O2S/c12-11(9-5-7-14-8-9)4-3-10-2-1-6-13-10/h9-12H,1-8H2.
What are the key properties of 3-(oxolan-2-yl)-1-(thiolan-3-yl)propan-1-ol?
3-(oxolan-2-yl)-1-(thiolan-3-yl)propan-1-ol has a molecular weight of 216.35 g/mol, XLogP of 2.06, 4 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 3-(oxolan-2-yl)-1-(thiolan-3-yl)propan-1-ol is sourced from PubChem (CID 105105032), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).