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

C15H26OS2 — CID 115385996

IUPAC(2-ethylcyclohexyl)-(3-ethyl-1,4-dithian-2-yl)methanone
SMILESCCC1CCCCC1C(=O)C1SCCSC1CC
InChIInChI=1S/C15H26OS2/c1-3-11-7-5-6-8-12(11)14(16)15-13(4-2)17-9-10-18-15/h11-13,15H,3-10H2,1-2H3
InChIKeyBHRSISDMYCNBSO-UHFFFAOYSA-N
MW286.51 g/mol
LogP4.40
Rot. Bonds4

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

(2-ethylcyclohexyl)-(3-ethyl-1,4-dithian-2-yl)methanone (PubChem CID 115385996) has the molecular formula C15H26OS2 and a molecular weight of 286.51 g/mol. Its IUPAC name is (2-ethylcyclohexyl)-(3-ethyl-1,4-dithian-2-yl)methanone.

Molecular Properties

Compound Name(2-ethylcyclohexyl)-(3-ethyl-1,4-dithian-2-yl)methanone
PubChem CID115385996
Molecular FormulaC15H26OS2
Molecular Weight286.51 g/mol
Exact Mass286.14
IUPAC Name(2-ethylcyclohexyl)-(3-ethyl-1,4-dithian-2-yl)methanone
SMILESCCC1CCCCC1C(=O)C1SCCSC1CC
InChIInChI=1S/C15H26OS2/c1-3-11-7-5-6-8-12(11)14(16)15-13(4-2)17-9-10-18-15/h11-13,15H,3-10H2,1-2H3
InChIKeyBHRSISDMYCNBSO-UHFFFAOYSA-N
XLogP4.40
TPSA17.07 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds4
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

(2-ethylcyclohexyl)-(thiolan-3-yl)methanone
CID 105102324
(2-ethylcyclohexyl)-(3-ethyl-1,4-dithian-2-yl)methanol
CID 113299423
(2S)-2-ethylcyclopentane-1-carboxylic acid
CID 59114270
(2,2-dimethylcyclohexyl)-(2-ethylcyclohexyl)methanone
CID 107186989
(2-ethylcyclohexyl)-(2-methyloxolan-3-yl)methanone
CID 114973777
(3-ethyl-1,4-dithian-2-yl)-(1-oxaspiro[5.5]undecan-4-yl)methanone
CID 115385923
carbonic acid;1,2-diethylcyclohexane
CID 70579518
(2-ethylcyclohexyl)-(oxan-3-yl)methanone
CID 65331736
1-(2-ethylcyclohexyl)-2-methylprop-2-en-1-one
CID 58325604
2-amino-2-cyclopropyl-1-(2-ethylcyclohexyl)propan-1-one
CID 116558390
2-ethoxy-1-(3-ethyl-1,4-dithian-2-yl)ethanone
CID 115385987
1-(3-ethyl-1,4-dithian-2-yl)-4,4-dimethylpentan-1-one
CID 115385916

Frequently Asked Questions

What is the IUPAC name of (2-ethylcyclohexyl)-(3-ethyl-1,4-dithian-2-yl)methanone?
The IUPAC name of (2-ethylcyclohexyl)-(3-ethyl-1,4-dithian-2-yl)methanone (CID 115385996) is (2-ethylcyclohexyl)-(3-ethyl-1,4-dithian-2-yl)methanone.
What is the SMILES notation for (2-ethylcyclohexyl)-(3-ethyl-1,4-dithian-2-yl)methanone?
The canonical SMILES for (2-ethylcyclohexyl)-(3-ethyl-1,4-dithian-2-yl)methanone is CCC1CCCCC1C(=O)C1SCCSC1CC.
What is the InChIKey of (2-ethylcyclohexyl)-(3-ethyl-1,4-dithian-2-yl)methanone?
The InChIKey is BHRSISDMYCNBSO-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H26OS2/c1-3-11-7-5-6-8-12(11)14(16)15-13(4-2)17-9-10-18-15/h11-13,15H,3-10H2,1-2H3.
What are the key properties of (2-ethylcyclohexyl)-(3-ethyl-1,4-dithian-2-yl)methanone?
(2-ethylcyclohexyl)-(3-ethyl-1,4-dithian-2-yl)methanone has a molecular weight of 286.51 g/mol, XLogP of 4.40, 4 rotatable bonds, 0 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)methanone is sourced from PubChem (CID 115385996), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).