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

C15H28OS2 — CID 113299423

IUPAC(2-ethylcyclohexyl)-(3-ethyl-1,4-dithian-2-yl)methanol
SMILESCCC1CCCCC1C(O)C1SCCSC1CC
InChIInChI=1S/C15H28OS2/c1-3-11-7-5-6-8-12(11)14(16)15-13(4-2)17-9-10-18-15/h11-16H,3-10H2,1-2H3
InChIKeyJHPAGFRWBHKTJO-UHFFFAOYSA-N
MW288.52 g/mol
LogP4.19
Rot. Bonds4

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

(2-ethylcyclohexyl)-(3-ethyl-1,4-dithian-2-yl)methanol (PubChem CID 113299423) has the molecular formula C15H28OS2 and a molecular weight of 288.52 g/mol. Its IUPAC name is (2-ethylcyclohexyl)-(3-ethyl-1,4-dithian-2-yl)methanol.

Molecular Properties

Compound Name(2-ethylcyclohexyl)-(3-ethyl-1,4-dithian-2-yl)methanol
PubChem CID113299423
Molecular FormulaC15H28OS2
Molecular Weight288.52 g/mol
Exact Mass288.16
IUPAC Name(2-ethylcyclohexyl)-(3-ethyl-1,4-dithian-2-yl)methanol
SMILESCCC1CCCCC1C(O)C1SCCSC1CC
InChIInChI=1S/C15H28OS2/c1-3-11-7-5-6-8-12(11)14(16)15-13(4-2)17-9-10-18-15/h11-16H,3-10H2,1-2H3
InChIKeyJHPAGFRWBHKTJO-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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Frequently Asked Questions

What is the IUPAC name of (2-ethylcyclohexyl)-(3-ethyl-1,4-dithian-2-yl)methanol?
The IUPAC name of (2-ethylcyclohexyl)-(3-ethyl-1,4-dithian-2-yl)methanol (CID 113299423) is (2-ethylcyclohexyl)-(3-ethyl-1,4-dithian-2-yl)methanol.
What is the SMILES notation for (2-ethylcyclohexyl)-(3-ethyl-1,4-dithian-2-yl)methanol?
The canonical SMILES for (2-ethylcyclohexyl)-(3-ethyl-1,4-dithian-2-yl)methanol is CCC1CCCCC1C(O)C1SCCSC1CC.
What is the InChIKey of (2-ethylcyclohexyl)-(3-ethyl-1,4-dithian-2-yl)methanol?
The InChIKey is JHPAGFRWBHKTJO-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H28OS2/c1-3-11-7-5-6-8-12(11)14(16)15-13(4-2)17-9-10-18-15/h11-16H,3-10H2,1-2H3.
What are the key properties of (2-ethylcyclohexyl)-(3-ethyl-1,4-dithian-2-yl)methanol?
(2-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 (2-ethylcyclohexyl)-(3-ethyl-1,4-dithian-2-yl)methanol is sourced from PubChem (CID 113299423), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).