2-[(2R,3R)-2-propan-2-ylthiolan-3-yl]oxyoxane

C12H22O2S — CID 10353815

IUPAC2-[(2R,3R)-2-propan-2-ylthiolan-3-yl]oxyoxane
SMILESCC(C)[C@H]1SCC[C@H]1OC1CCCCO1
InChIInChI=1S/C12H22O2S/c1-9(2)12-10(6-8-15-12)14-11-5-3-4-7-13-11/h9-12H,3-8H2,1-2H3/t10-,11?,12-/m1/s1
InChIKeyKTJUKZPBJFAVIA-IGBJHFKCSA-N
MW230.37 g/mol
LogP3.06
Rot. Bonds3

About 2-[(2R,3R)-2-propan-2-ylthiolan-3-yl]oxyoxane

2-[(2R,3R)-2-propan-2-ylthiolan-3-yl]oxyoxane (PubChem CID 10353815) has the molecular formula C12H22O2S and a molecular weight of 230.37 g/mol. Its IUPAC name is 2-[(2R,3R)-2-propan-2-ylthiolan-3-yl]oxyoxane.

Molecular Properties

Compound Name2-[(2R,3R)-2-propan-2-ylthiolan-3-yl]oxyoxane
PubChem CID10353815
Molecular FormulaC12H22O2S
Molecular Weight230.37 g/mol
Exact Mass230.13
IUPAC Name2-[(2R,3R)-2-propan-2-ylthiolan-3-yl]oxyoxane
SMILESCC(C)[C@H]1SCC[C@H]1OC1CCCCO1
InChIInChI=1S/C12H22O2S/c1-9(2)12-10(6-8-15-12)14-11-5-3-4-7-13-11/h9-12H,3-8H2,1-2H3/t10-,11?,12-/m1/s1
InChIKeyKTJUKZPBJFAVIA-IGBJHFKCSA-N
XLogP3.06
TPSA18.46 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500230.37
LogP ≤ 53.06
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 2-[(2R,3R)-2-propan-2-ylthiolan-3-yl]oxyoxane?
The IUPAC name of 2-[(2R,3R)-2-propan-2-ylthiolan-3-yl]oxyoxane (CID 10353815) is 2-[(2R,3R)-2-propan-2-ylthiolan-3-yl]oxyoxane.
What is the SMILES notation for 2-[(2R,3R)-2-propan-2-ylthiolan-3-yl]oxyoxane?
The canonical SMILES for 2-[(2R,3R)-2-propan-2-ylthiolan-3-yl]oxyoxane is CC(C)[C@H]1SCC[C@H]1OC1CCCCO1.
What is the InChIKey of 2-[(2R,3R)-2-propan-2-ylthiolan-3-yl]oxyoxane?
The InChIKey is KTJUKZPBJFAVIA-IGBJHFKCSA-N. The full InChI is InChI=1S/C12H22O2S/c1-9(2)12-10(6-8-15-12)14-11-5-3-4-7-13-11/h9-12H,3-8H2,1-2H3/t10-,11?,12-/m1/s1.
What are the key properties of 2-[(2R,3R)-2-propan-2-ylthiolan-3-yl]oxyoxane?
2-[(2R,3R)-2-propan-2-ylthiolan-3-yl]oxyoxane has a molecular weight of 230.37 g/mol, XLogP of 3.06, 3 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[(2R,3R)-2-propan-2-ylthiolan-3-yl]oxyoxane is sourced from PubChem (CID 10353815), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).