2-[2-(2-methylprop-1-enoxy)ethyl]-1,4-dithiane

C10H18OS2 — CID 176603271

IUPAC2-[2-(2-methylprop-1-enoxy)ethyl]-1,4-dithiane
SMILESCC(C)=COCCC1CSCCS1
InChIInChI=1S/C10H18OS2/c1-9(2)7-11-4-3-10-8-12-5-6-13-10/h7,10H,3-6,8H2,1-2H3
InChIKeyKSSNGISSXSDMHO-UHFFFAOYSA-N
MW218.39 g/mol
LogP3.17
Rot. Bonds4

About 2-[2-(2-methylprop-1-enoxy)ethyl]-1,4-dithiane

2-[2-(2-methylprop-1-enoxy)ethyl]-1,4-dithiane (PubChem CID 176603271) has the molecular formula C10H18OS2 and a molecular weight of 218.39 g/mol. Its IUPAC name is 2-[2-(2-methylprop-1-enoxy)ethyl]-1,4-dithiane.

Molecular Properties

Compound Name2-[2-(2-methylprop-1-enoxy)ethyl]-1,4-dithiane
PubChem CID176603271
Molecular FormulaC10H18OS2
Molecular Weight218.39 g/mol
Exact Mass218.08
IUPAC Name2-[2-(2-methylprop-1-enoxy)ethyl]-1,4-dithiane
SMILESCC(C)=COCCC1CSCCS1
InChIInChI=1S/C10H18OS2/c1-9(2)7-11-4-3-10-8-12-5-6-13-10/h7,10H,3-6,8H2,1-2H3
InChIKeyKSSNGISSXSDMHO-UHFFFAOYSA-N
XLogP3.17
TPSA9.23 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500218.39
LogP ≤ 53.17
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

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Related Compounds

2,5-Dibutylthio-2,3-dihydro-4h-pyran
CID 15211176
1-(2-Ethylsulfanylethoxy)-2-methylprop-1-ene
CID 140143799
2-(2-Methylprop-2-enylsulfanyl)oxane
CID 164745338
2-methyl-2-[[(E)-prop-1-enoxy]methyl]-1,4-dithiane
CID 176602937
4-(2-Methylprop-1-enoxymethyl)thiane
CID 176602946
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-[3-(2-Methylprop-1-enoxy)propyl]-1,4-dithiane 1,4-dioxide
CID 176603223
2-Methyl-2-(2-methylprop-1-enoxymethyl)-1,4-dithiane
CID 176603286
2-(2-Methylprop-1-enoxymethyl)-1,4-dithiane
CID 176603370
2-(2-Methylprop-1-enoxymethyl)-1,4-dithiane 1,4-dioxide
CID 176603499

Frequently Asked Questions

What is the IUPAC name of 2-[2-(2-methylprop-1-enoxy)ethyl]-1,4-dithiane?
The IUPAC name of 2-[2-(2-methylprop-1-enoxy)ethyl]-1,4-dithiane (CID 176603271) is 2-[2-(2-methylprop-1-enoxy)ethyl]-1,4-dithiane.
What is the SMILES notation for 2-[2-(2-methylprop-1-enoxy)ethyl]-1,4-dithiane?
The canonical SMILES for 2-[2-(2-methylprop-1-enoxy)ethyl]-1,4-dithiane is CC(C)=COCCC1CSCCS1.
What is the InChIKey of 2-[2-(2-methylprop-1-enoxy)ethyl]-1,4-dithiane?
The InChIKey is KSSNGISSXSDMHO-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H18OS2/c1-9(2)7-11-4-3-10-8-12-5-6-13-10/h7,10H,3-6,8H2,1-2H3.
What are the key properties of 2-[2-(2-methylprop-1-enoxy)ethyl]-1,4-dithiane?
2-[2-(2-methylprop-1-enoxy)ethyl]-1,4-dithiane has a molecular weight of 218.39 g/mol, XLogP of 3.17, 4 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[2-(2-methylprop-1-enoxy)ethyl]-1,4-dithiane is sourced from PubChem (CID 176603271), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).