2-ethyl-2-(2-methylprop-1-enoxymethyl)-1,4-dithiane

C11H20OS2 — CID 176603531

IUPAC2-ethyl-2-(2-methylprop-1-enoxymethyl)-1,4-dithiane
SMILESCCC1(COC=C(C)C)CSCCS1
InChIInChI=1S/C11H20OS2/c1-4-11(8-12-7-10(2)3)9-13-5-6-14-11/h7H,4-6,8-9H2,1-3H3
InChIKeyBTIGMICNIPUFSU-UHFFFAOYSA-N
MW232.41 g/mol
LogP3.56
Rot. Bonds4

About 2-ethyl-2-(2-methylprop-1-enoxymethyl)-1,4-dithiane

2-ethyl-2-(2-methylprop-1-enoxymethyl)-1,4-dithiane (PubChem CID 176603531) has the molecular formula C11H20OS2 and a molecular weight of 232.41 g/mol. Its IUPAC name is 2-ethyl-2-(2-methylprop-1-enoxymethyl)-1,4-dithiane.

Molecular Properties

Compound Name2-ethyl-2-(2-methylprop-1-enoxymethyl)-1,4-dithiane
PubChem CID176603531
Molecular FormulaC11H20OS2
Molecular Weight232.41 g/mol
Exact Mass232.10
IUPAC Name2-ethyl-2-(2-methylprop-1-enoxymethyl)-1,4-dithiane
SMILESCCC1(COC=C(C)C)CSCCS1
InChIInChI=1S/C11H20OS2/c1-4-11(8-12-7-10(2)3)9-13-5-6-14-11/h7H,4-6,8-9H2,1-3H3
InChIKeyBTIGMICNIPUFSU-UHFFFAOYSA-N
XLogP3.56
TPSA9.23 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500232.41
LogP ≤ 53.56
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-methyl-2-[[(E)-prop-1-enoxy]methyl]-1,4-dithiane
CID 176602937
4-(2-Methylprop-1-enoxymethyl)thiane
CID 176602946
4-Methyl-4-[2-(2-methylprop-1-enoxy)ethyl]thiane
CID 176602960
4-Ethyl-4-(2-methylprop-1-enoxymethyl)thiane
CID 176603000
2-Methyl-2-[2-(2-methylprop-1-enoxy)ethyl]-1,4-dithiane 1,4-dioxide
CID 176603045
4-[2-(2-Methylprop-1-enoxy)ethyl]thiane
CID 176603065
2-[2-(2-Methylprop-1-enoxy)ethyl]-1,4-dithiane
CID 176603271
2-Methyl-2-(2-methylprop-1-enoxymethyl)-1,4-dithiane
CID 176603286
3-Methyl-3-(2-methylprop-1-enoxymethyl)thiane
CID 176603304
2-(2-Methylprop-1-enoxymethyl)-1,4-dithiane
CID 176603370
2-(Cyclopentylidenemethoxymethyl)-2-ethyl-1,4-dithiane
CID 176603376
2-[2-(Cyclopentylidenemethoxy)ethyl]-2-methyl-1,4-dithiane
CID 176603396

Frequently Asked Questions

What is the IUPAC name of 2-ethyl-2-(2-methylprop-1-enoxymethyl)-1,4-dithiane?
The IUPAC name of 2-ethyl-2-(2-methylprop-1-enoxymethyl)-1,4-dithiane (CID 176603531) is 2-ethyl-2-(2-methylprop-1-enoxymethyl)-1,4-dithiane.
What is the SMILES notation for 2-ethyl-2-(2-methylprop-1-enoxymethyl)-1,4-dithiane?
The canonical SMILES for 2-ethyl-2-(2-methylprop-1-enoxymethyl)-1,4-dithiane is CCC1(COC=C(C)C)CSCCS1.
What is the InChIKey of 2-ethyl-2-(2-methylprop-1-enoxymethyl)-1,4-dithiane?
The InChIKey is BTIGMICNIPUFSU-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H20OS2/c1-4-11(8-12-7-10(2)3)9-13-5-6-14-11/h7H,4-6,8-9H2,1-3H3.
What are the key properties of 2-ethyl-2-(2-methylprop-1-enoxymethyl)-1,4-dithiane?
2-ethyl-2-(2-methylprop-1-enoxymethyl)-1,4-dithiane has a molecular weight of 232.41 g/mol, XLogP of 3.56, 4 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-ethyl-2-(2-methylprop-1-enoxymethyl)-1,4-dithiane is sourced from PubChem (CID 176603531), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).