thiolan-2-yl-(2,4,5-trimethyloxolan-3-yl)methanone

C12H20O2S — CID 65155589

IUPACthiolan-2-yl-(2,4,5-trimethyloxolan-3-yl)methanone
SMILESCC1OC(C)C(C(=O)C2CCCS2)C1C
InChIInChI=1S/C12H20O2S/c1-7-8(2)14-9(3)11(7)12(13)10-5-4-6-15-10/h7-11H,4-6H2,1-3H3
InChIKeyFUFCDDLULAPYNW-UHFFFAOYSA-N
MW228.36 g/mol
LogP2.51
Rot. Bonds2

About thiolan-2-yl-(2,4,5-trimethyloxolan-3-yl)methanone

thiolan-2-yl-(2,4,5-trimethyloxolan-3-yl)methanone (PubChem CID 65155589) has the molecular formula C12H20O2S and a molecular weight of 228.36 g/mol. Its IUPAC name is thiolan-2-yl-(2,4,5-trimethyloxolan-3-yl)methanone.

Molecular Properties

Compound Namethiolan-2-yl-(2,4,5-trimethyloxolan-3-yl)methanone
PubChem CID65155589
Molecular FormulaC12H20O2S
Molecular Weight228.36 g/mol
Exact Mass228.12
IUPAC Namethiolan-2-yl-(2,4,5-trimethyloxolan-3-yl)methanone
SMILESCC1OC(C)C(C(=O)C2CCCS2)C1C
InChIInChI=1S/C12H20O2S/c1-7-8(2)14-9(3)11(7)12(13)10-5-4-6-15-10/h7-11H,4-6H2,1-3H3
InChIKeyFUFCDDLULAPYNW-UHFFFAOYSA-N
XLogP2.51
TPSA26.30 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500228.36
LogP ≤ 52.51
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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Related Compounds

4-(Oxolan-2-ylmethyl)-5-sulfanylidenethiolan-3-one
CID 4769893
Oxolan-3-yl(thiolan-2-yl)methanone
CID 64163628
Oxolan-3-yl(thiolan-3-yl)methanone
CID 64164018
Oxan-3-yl(thiolan-3-yl)methanone
CID 64164022
Oxan-4-yl(thiolan-2-yl)methanone
CID 64164053
Oxan-3-yl(thiolan-2-yl)methanone
CID 64164283
3-(Oxolan-2-yl)-1-(thiolan-3-yl)propan-1-one
CID 65155480
2-(Oxolan-2-yl)-1-(thiolan-3-yl)ethanone
CID 65155481
Thiolan-3-yl-(2,4,5-trimethyloxolan-3-yl)methanone
CID 65155482
3-Methylsulfanyl-1-(2,4,5-trimethyloxolan-3-yl)propan-1-one
CID 65155534
2-Methylsulfanyl-1-(2,4,5-trimethyloxolan-3-yl)ethanone
CID 65155536
(2-Methyloxolan-3-yl)-(thiolan-2-yl)methanone
CID 79760066

Frequently Asked Questions

What is the IUPAC name of thiolan-2-yl-(2,4,5-trimethyloxolan-3-yl)methanone?
The IUPAC name of thiolan-2-yl-(2,4,5-trimethyloxolan-3-yl)methanone (CID 65155589) is thiolan-2-yl-(2,4,5-trimethyloxolan-3-yl)methanone.
What is the SMILES notation for thiolan-2-yl-(2,4,5-trimethyloxolan-3-yl)methanone?
The canonical SMILES for thiolan-2-yl-(2,4,5-trimethyloxolan-3-yl)methanone is CC1OC(C)C(C(=O)C2CCCS2)C1C.
What is the InChIKey of thiolan-2-yl-(2,4,5-trimethyloxolan-3-yl)methanone?
The InChIKey is FUFCDDLULAPYNW-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H20O2S/c1-7-8(2)14-9(3)11(7)12(13)10-5-4-6-15-10/h7-11H,4-6H2,1-3H3.
What are the key properties of thiolan-2-yl-(2,4,5-trimethyloxolan-3-yl)methanone?
thiolan-2-yl-(2,4,5-trimethyloxolan-3-yl)methanone has a molecular weight of 228.36 g/mol, XLogP of 2.51, 2 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for thiolan-2-yl-(2,4,5-trimethyloxolan-3-yl)methanone is sourced from PubChem (CID 65155589), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).