(5,6-dimethyl-1,4-dithian-2-yl)-(3-ethylcyclohexyl)methanone

C15H26OS2 — CID 103345005

IUPAC(5,6-dimethyl-1,4-dithian-2-yl)-(3-ethylcyclohexyl)methanone
SMILESCCC1CCCC(C(=O)C2CSC(C)C(C)S2)C1
InChIInChI=1S/C15H26OS2/c1-4-12-6-5-7-13(8-12)15(16)14-9-17-10(2)11(3)18-14/h10-14H,4-9H2,1-3H3
InChIKeyYBOIEVAIHKXKSJ-UHFFFAOYSA-N
MW286.51 g/mol
LogP4.40
Rot. Bonds3

About (5,6-dimethyl-1,4-dithian-2-yl)-(3-ethylcyclohexyl)methanone

(5,6-dimethyl-1,4-dithian-2-yl)-(3-ethylcyclohexyl)methanone (PubChem CID 103345005) has the molecular formula C15H26OS2 and a molecular weight of 286.51 g/mol. Its IUPAC name is (5,6-dimethyl-1,4-dithian-2-yl)-(3-ethylcyclohexyl)methanone.

Molecular Properties

Compound Name(5,6-dimethyl-1,4-dithian-2-yl)-(3-ethylcyclohexyl)methanone
PubChem CID103345005
Molecular FormulaC15H26OS2
Molecular Weight286.51 g/mol
Exact Mass286.14
IUPAC Name(5,6-dimethyl-1,4-dithian-2-yl)-(3-ethylcyclohexyl)methanone
SMILESCCC1CCCC(C(=O)C2CSC(C)C(C)S2)C1
InChIInChI=1S/C15H26OS2/c1-4-12-6-5-7-13(8-12)15(16)14-9-17-10(2)11(3)18-14/h10-14H,4-9H2,1-3H3
InChIKeyYBOIEVAIHKXKSJ-UHFFFAOYSA-N
XLogP4.40
TPSA17.07 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500286.51
LogP ≤ 54.40
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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Related Compounds

(3-ethylcyclohexyl)-(3-ethylcyclopentyl)methanone
CID 65406793
2-cyclopentyl-1-(5,6-dimethyl-1,4-dithian-2-yl)ethanone
CID 103344818
(3-ethylcyclohexyl)-(oxan-4-yl)methanone
CID 65329371
(3-ethylcyclohexyl)-thiomorpholin-3-ylmethanone
CID 116609466
(3-ethylcyclohexyl)-(2-methyloxolan-3-yl)methanone
CID 114976477
2-(dimethylamino)-1-(3-ethylcyclohexyl)ethanone
CID 79078321
(3-ethylcyclohexyl)-pyrrolidin-3-ylmethanone
CID 116568230
2-amino-1-(3-ethylcyclohexyl)ethanone
CID 116548368
(5,6-dimethyl-1,4-dithian-2-yl)-(6-oxaspiro[4.5]decan-9-yl)methanone
CID 103345007
(3-amino-2-bicyclo[2.2.1]heptanyl)-(3-ethylcyclohexyl)methanone
CID 116580693
1-(3-ethylcyclohexyl)ethanethione
CID 175971098
1-(3-ethylcyclohexyl)-2-hydroxy-3,3-dimethylbutan-1-one
CID 103456180

Frequently Asked Questions

What is the IUPAC name of (5,6-dimethyl-1,4-dithian-2-yl)-(3-ethylcyclohexyl)methanone?
The IUPAC name of (5,6-dimethyl-1,4-dithian-2-yl)-(3-ethylcyclohexyl)methanone (CID 103345005) is (5,6-dimethyl-1,4-dithian-2-yl)-(3-ethylcyclohexyl)methanone.
What is the SMILES notation for (5,6-dimethyl-1,4-dithian-2-yl)-(3-ethylcyclohexyl)methanone?
The canonical SMILES for (5,6-dimethyl-1,4-dithian-2-yl)-(3-ethylcyclohexyl)methanone is CCC1CCCC(C(=O)C2CSC(C)C(C)S2)C1.
What is the InChIKey of (5,6-dimethyl-1,4-dithian-2-yl)-(3-ethylcyclohexyl)methanone?
The InChIKey is YBOIEVAIHKXKSJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H26OS2/c1-4-12-6-5-7-13(8-12)15(16)14-9-17-10(2)11(3)18-14/h10-14H,4-9H2,1-3H3.
What are the key properties of (5,6-dimethyl-1,4-dithian-2-yl)-(3-ethylcyclohexyl)methanone?
(5,6-dimethyl-1,4-dithian-2-yl)-(3-ethylcyclohexyl)methanone has a molecular weight of 286.51 g/mol, XLogP of 4.40, 3 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for (5,6-dimethyl-1,4-dithian-2-yl)-(3-ethylcyclohexyl)methanone is sourced from PubChem (CID 103345005), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).