(3-ethylcyclohexyl)-(3-ethyl-1,4-dithian-2-yl)methanol

C15H28OS2 — CID 113299467

IUPAC(3-ethylcyclohexyl)-(3-ethyl-1,4-dithian-2-yl)methanol
SMILESCCC1CCCC(C(O)C2SCCSC2CC)C1
InChIInChI=1S/C15H28OS2/c1-3-11-6-5-7-12(10-11)14(16)15-13(4-2)17-8-9-18-15/h11-16H,3-10H2,1-2H3
InChIKeySTZOXQJSGUILSL-UHFFFAOYSA-N
MW288.52 g/mol
LogP4.19
Rot. Bonds4

About (3-ethylcyclohexyl)-(3-ethyl-1,4-dithian-2-yl)methanol

(3-ethylcyclohexyl)-(3-ethyl-1,4-dithian-2-yl)methanol (PubChem CID 113299467) has the molecular formula C15H28OS2 and a molecular weight of 288.52 g/mol. Its IUPAC name is (3-ethylcyclohexyl)-(3-ethyl-1,4-dithian-2-yl)methanol.

Molecular Properties

Compound Name(3-ethylcyclohexyl)-(3-ethyl-1,4-dithian-2-yl)methanol
PubChem CID113299467
Molecular FormulaC15H28OS2
Molecular Weight288.52 g/mol
Exact Mass288.16
IUPAC Name(3-ethylcyclohexyl)-(3-ethyl-1,4-dithian-2-yl)methanol
SMILESCCC1CCCC(C(O)C2SCCSC2CC)C1
InChIInChI=1S/C15H28OS2/c1-3-11-6-5-7-12(10-11)14(16)15-13(4-2)17-8-9-18-15/h11-16H,3-10H2,1-2H3
InChIKeySTZOXQJSGUILSL-UHFFFAOYSA-N
XLogP4.19
TPSA20.23 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500288.52
LogP ≤ 54.19
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

(2-ethylcyclohexyl)-(3-ethyl-1,4-dithian-2-yl)methanol
CID 113299423
2-cyclobutyl-1-(3-ethylcyclohexyl)ethanol
CID 65457880
cyclopentyl-(3-ethylcyclopentyl)methanol
CID 65410347
(3-ethylcyclohexyl)-(4-propylcyclohexyl)methanol
CID 65423709
1-(3-ethylcyclohexyl)-2-(thian-4-yl)ethanol
CID 105104403
1-(3-ethylcyclohexyl)-2,2-difluoroethanol
CID 112699179
cycloheptyl-(3-ethyl-1,4-dithian-2-yl)methanamine
CID 82931537
2-cyclopropyl-1-(3-ethyl-1,4-dithian-2-yl)ethanamine
CID 115387594
cyclopropyl-(3-ethylcyclopentyl)methanol
CID 65411720
(4-ethylcyclohexyl)-(3-ethyl-1,4-dithian-2-yl)methanamine
CID 113299690
1,4-diazabicyclo[2.2.2]octan-2-yl-(3-ethylcyclohexyl)methanol
CID 79968391
3-(3-ethylcyclohexyl)-4-methylpentan-2-one
CID 79417882

Frequently Asked Questions

What is the IUPAC name of (3-ethylcyclohexyl)-(3-ethyl-1,4-dithian-2-yl)methanol?
The IUPAC name of (3-ethylcyclohexyl)-(3-ethyl-1,4-dithian-2-yl)methanol (CID 113299467) is (3-ethylcyclohexyl)-(3-ethyl-1,4-dithian-2-yl)methanol.
What is the SMILES notation for (3-ethylcyclohexyl)-(3-ethyl-1,4-dithian-2-yl)methanol?
The canonical SMILES for (3-ethylcyclohexyl)-(3-ethyl-1,4-dithian-2-yl)methanol is CCC1CCCC(C(O)C2SCCSC2CC)C1.
What is the InChIKey of (3-ethylcyclohexyl)-(3-ethyl-1,4-dithian-2-yl)methanol?
The InChIKey is STZOXQJSGUILSL-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H28OS2/c1-3-11-6-5-7-12(10-11)14(16)15-13(4-2)17-8-9-18-15/h11-16H,3-10H2,1-2H3.
What are the key properties of (3-ethylcyclohexyl)-(3-ethyl-1,4-dithian-2-yl)methanol?
(3-ethylcyclohexyl)-(3-ethyl-1,4-dithian-2-yl)methanol has a molecular weight of 288.52 g/mol, XLogP of 4.19, 4 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for (3-ethylcyclohexyl)-(3-ethyl-1,4-dithian-2-yl)methanol is sourced from PubChem (CID 113299467), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).