(3-ethyl-1,4-dithian-2-yl)-(2,2,5,5-tetramethyloxolan-3-yl)methanone

C15H26O2S2 — CID 114622521

IUPAC(3-ethyl-1,4-dithian-2-yl)-(2,2,5,5-tetramethyloxolan-3-yl)methanone
SMILESCCC1SCCSC1C(=O)C1CC(C)(C)OC1(C)C
InChIInChI=1S/C15H26O2S2/c1-6-11-13(19-8-7-18-11)12(16)10-9-14(2,3)17-15(10,4)5/h10-11,13H,6-9H2,1-5H3
InChIKeyLVGKXIFFATWXSH-UHFFFAOYSA-N
MW302.51 g/mol
LogP3.78
Rot. Bonds3

About (3-ethyl-1,4-dithian-2-yl)-(2,2,5,5-tetramethyloxolan-3-yl)methanone

(3-ethyl-1,4-dithian-2-yl)-(2,2,5,5-tetramethyloxolan-3-yl)methanone (PubChem CID 114622521) has the molecular formula C15H26O2S2 and a molecular weight of 302.51 g/mol. Its IUPAC name is (3-ethyl-1,4-dithian-2-yl)-(2,2,5,5-tetramethyloxolan-3-yl)methanone.

Molecular Properties

Compound Name(3-ethyl-1,4-dithian-2-yl)-(2,2,5,5-tetramethyloxolan-3-yl)methanone
PubChem CID114622521
Molecular FormulaC15H26O2S2
Molecular Weight302.51 g/mol
Exact Mass302.14
IUPAC Name(3-ethyl-1,4-dithian-2-yl)-(2,2,5,5-tetramethyloxolan-3-yl)methanone
SMILESCCC1SCCSC1C(=O)C1CC(C)(C)OC1(C)C
InChIInChI=1S/C15H26O2S2/c1-6-11-13(19-8-7-18-11)12(16)10-9-14(2,3)17-15(10,4)5/h10-11,13H,6-9H2,1-5H3
InChIKeyLVGKXIFFATWXSH-UHFFFAOYSA-N
XLogP3.78
TPSA26.30 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500302.51
LogP ≤ 53.78
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

Analyze (3-ethyl-1,4-dithian-2-yl)-(2,2,5,5-tetramethyloxolan-3-yl)methanone with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

(4-ethylcyclohexyl)-(2,2,5,5-tetramethyloxolan-3-yl)methanone
CID 114622432
cyclopentyl-(2,2,5,5-tetramethyloxolan-3-yl)methanone
CID 114622352
(3-ethyl-1,4-dithian-2-yl)-(1-oxaspiro[5.5]undecan-4-yl)methanone
CID 115385923
(2-ethylcyclohexyl)-(3-ethyl-1,4-dithian-2-yl)methanone
CID 115385996
2-ethyl-2-methoxy-1-(2,2,5,5-tetramethyloxolan-3-yl)butan-1-one
CID 114622560
2-ethyl-1-(2,2,5,5-tetramethyloxolan-3-yl)but-2-en-1-one
CID 103447272
1-(3-ethyl-1,4-dithian-2-yl)-2-propoxyethanone
CID 115386079
2-propan-2-ylsulfanyl-1-(2,2,5,5-tetramethyloxolan-3-yl)ethanone
CID 114622416
1-(2,2,5,5-tetramethyloxolan-3-yl)but-3-en-1-one
CID 114622545
2-(1-aminocyclobutyl)-1-(2,2,5,5-tetramethyloxolan-3-yl)ethanone
CID 114624678
2-hydroxy-1-(2,2,5,5-tetramethyloxolan-3-yl)propan-1-one
CID 103451300
1-(3-ethyl-1,4-dithian-2-yl)nonan-1-one
CID 115385863

Frequently Asked Questions

What is the IUPAC name of (3-ethyl-1,4-dithian-2-yl)-(2,2,5,5-tetramethyloxolan-3-yl)methanone?
The IUPAC name of (3-ethyl-1,4-dithian-2-yl)-(2,2,5,5-tetramethyloxolan-3-yl)methanone (CID 114622521) is (3-ethyl-1,4-dithian-2-yl)-(2,2,5,5-tetramethyloxolan-3-yl)methanone.
What is the SMILES notation for (3-ethyl-1,4-dithian-2-yl)-(2,2,5,5-tetramethyloxolan-3-yl)methanone?
The canonical SMILES for (3-ethyl-1,4-dithian-2-yl)-(2,2,5,5-tetramethyloxolan-3-yl)methanone is CCC1SCCSC1C(=O)C1CC(C)(C)OC1(C)C.
What is the InChIKey of (3-ethyl-1,4-dithian-2-yl)-(2,2,5,5-tetramethyloxolan-3-yl)methanone?
The InChIKey is LVGKXIFFATWXSH-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H26O2S2/c1-6-11-13(19-8-7-18-11)12(16)10-9-14(2,3)17-15(10,4)5/h10-11,13H,6-9H2,1-5H3.
What are the key properties of (3-ethyl-1,4-dithian-2-yl)-(2,2,5,5-tetramethyloxolan-3-yl)methanone?
(3-ethyl-1,4-dithian-2-yl)-(2,2,5,5-tetramethyloxolan-3-yl)methanone has a molecular weight of 302.51 g/mol, XLogP of 3.78, 3 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for (3-ethyl-1,4-dithian-2-yl)-(2,2,5,5-tetramethyloxolan-3-yl)methanone is sourced from PubChem (CID 114622521), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).