2-(cyclohexylidenemethoxymethyl)-2-ethyl-1,4-dithiane 1,4-dioxide

C14H24O3S2 — CID 176603470

IUPAC2-(cyclohexylidenemethoxymethyl)-2-ethyl-1,4-dithiane 1,4-dioxide
SMILESCCC1(COC=C2CCCCC2)CS(=O)CCS1=O
InChIInChI=1S/C14H24O3S2/c1-2-14(12-18(15)8-9-19(14)16)11-17-10-13-6-4-3-5-7-13/h10H,2-9,11-12H2,1H3
InChIKeyDNAMBPATJBEVCT-UHFFFAOYSA-N
MW304.48 g/mol
LogP2.51
Rot. Bonds4

About 2-(cyclohexylidenemethoxymethyl)-2-ethyl-1,4-dithiane 1,4-dioxide

2-(cyclohexylidenemethoxymethyl)-2-ethyl-1,4-dithiane 1,4-dioxide (PubChem CID 176603470) has the molecular formula C14H24O3S2 and a molecular weight of 304.48 g/mol. Its IUPAC name is 2-(cyclohexylidenemethoxymethyl)-2-ethyl-1,4-dithiane 1,4-dioxide.

Molecular Properties

Compound Name2-(cyclohexylidenemethoxymethyl)-2-ethyl-1,4-dithiane 1,4-dioxide
PubChem CID176603470
Molecular FormulaC14H24O3S2
Molecular Weight304.48 g/mol
Exact Mass304.12
IUPAC Name2-(cyclohexylidenemethoxymethyl)-2-ethyl-1,4-dithiane 1,4-dioxide
SMILESCCC1(COC=C2CCCCC2)CS(=O)CCS1=O
InChIInChI=1S/C14H24O3S2/c1-2-14(12-18(15)8-9-19(14)16)11-17-10-13-6-4-3-5-7-13/h10H,2-9,11-12H2,1H3
InChIKeyDNAMBPATJBEVCT-UHFFFAOYSA-N
XLogP2.51
TPSA43.37 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500304.48
LogP ≤ 52.51
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'acyclic_C=C-O', 'substructure': 'N/A'}

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Related Compounds

2-[1-(Cyclohexylidenemethoxy)ethyl]thiane 1-oxide
CID 176602954
4-(Cyclohexylidenemethoxymethyl)-4-methylthiane 1,1-dioxide
CID 176602986
2-(Cyclohexylidenemethoxymethyl)-2-ethylthiane 1,1-dioxide
CID 176603023
2-Methyl-2-[2-(2-methylprop-1-enoxy)ethyl]-1,4-dithiane 1,4-dioxide
CID 176603045
4-[3-(Cyclohexylidenemethoxy)propyl]-4-ethylthiane 1-oxide
CID 176603053
4-[1-(Cyclohexylidenemethoxy)ethyl]thiane 1-oxide
CID 176603063
2-[2-(Cyclohexylidenemethoxy)ethyl]-1,4-dithiane
CID 176603107
3-(Cyclohexylidenemethoxymethyl)-3-methylthiane 1-oxide
CID 176603125
2-[2-(Cyclohexylidenemethoxy)ethyl]-2-methyl-1,4-dithiane 1,4-dioxide
CID 176603185
2-[2-(Cyclopentylidenemethoxy)ethyl]-2-methyl-1,4-dithiane 1,4-dioxide
CID 176603226
2-[2-(Cyclopentylidenemethoxy)ethyl]-1,4-dithiane 1,4-dioxide
CID 176603245
2-[3-(Cyclohexylidenemethoxy)propyl]-1,4-dithiane
CID 176603296

Frequently Asked Questions

What is the IUPAC name of 2-(cyclohexylidenemethoxymethyl)-2-ethyl-1,4-dithiane 1,4-dioxide?
The IUPAC name of 2-(cyclohexylidenemethoxymethyl)-2-ethyl-1,4-dithiane 1,4-dioxide (CID 176603470) is 2-(cyclohexylidenemethoxymethyl)-2-ethyl-1,4-dithiane 1,4-dioxide.
What is the SMILES notation for 2-(cyclohexylidenemethoxymethyl)-2-ethyl-1,4-dithiane 1,4-dioxide?
The canonical SMILES for 2-(cyclohexylidenemethoxymethyl)-2-ethyl-1,4-dithiane 1,4-dioxide is CCC1(COC=C2CCCCC2)CS(=O)CCS1=O.
What is the InChIKey of 2-(cyclohexylidenemethoxymethyl)-2-ethyl-1,4-dithiane 1,4-dioxide?
The InChIKey is DNAMBPATJBEVCT-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H24O3S2/c1-2-14(12-18(15)8-9-19(14)16)11-17-10-13-6-4-3-5-7-13/h10H,2-9,11-12H2,1H3.
What are the key properties of 2-(cyclohexylidenemethoxymethyl)-2-ethyl-1,4-dithiane 1,4-dioxide?
2-(cyclohexylidenemethoxymethyl)-2-ethyl-1,4-dithiane 1,4-dioxide has a molecular weight of 304.48 g/mol, XLogP of 2.51, 4 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(cyclohexylidenemethoxymethyl)-2-ethyl-1,4-dithiane 1,4-dioxide is sourced from PubChem (CID 176603470), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).