2-(ethenoxymethyl)-2-ethyl-1,4-dithiane

C9H16OS2 — CID 176604388

IUPAC2-(ethenoxymethyl)-2-ethyl-1,4-dithiane
SMILESC=COCC1(CC)CSCCS1
InChIInChI=1S/C9H16OS2/c1-3-9(7-10-4-2)8-11-5-6-12-9/h4H,2-3,5-8H2,1H3
InChIKeyCRQQTAMHVWWDNF-UHFFFAOYSA-N
MW204.36 g/mol
LogP2.78
Rot. Bonds4

About 2-(ethenoxymethyl)-2-ethyl-1,4-dithiane

2-(ethenoxymethyl)-2-ethyl-1,4-dithiane (PubChem CID 176604388) has the molecular formula C9H16OS2 and a molecular weight of 204.36 g/mol. Its IUPAC name is 2-(ethenoxymethyl)-2-ethyl-1,4-dithiane.

Molecular Properties

Compound Name2-(ethenoxymethyl)-2-ethyl-1,4-dithiane
PubChem CID176604388
Molecular FormulaC9H16OS2
Molecular Weight204.36 g/mol
Exact Mass204.06
IUPAC Name2-(ethenoxymethyl)-2-ethyl-1,4-dithiane
SMILESC=COCC1(CC)CSCCS1
InChIInChI=1S/C9H16OS2/c1-3-9(7-10-4-2)8-11-5-6-12-9/h4H,2-3,5-8H2,1H3
InChIKeyCRQQTAMHVWWDNF-UHFFFAOYSA-N
XLogP2.78
TPSA9.23 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms12
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500204.36
LogP ≤ 52.78
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
2-(2-Ethenoxyethyl)-2-methyl-1,4-dithiane 1,4-dioxide
CID 176602971
2-(3-Ethenoxypropyl)-2-ethyl-1,4-dithiane
CID 176603224
2-(3-Ethenoxypropyl)-1,4-dithiane
CID 176603259
2-[2-(2-Methylprop-1-enoxy)ethyl]-1,4-dithiane
CID 176603271
2-(Ethenoxymethyl)-2-methyl-1,4-dithiane
CID 176603310
4-(Ethenoxymethyl)-4-ethylthiane
CID 176603389
2-Ethyl-2-(2-methylprop-1-enoxymethyl)-1,4-dithiane
CID 176603531
2-methyl-2-[2-[(E)-prop-1-enoxy]ethyl]-1,4-dithiane
CID 176603632
4-(Ethenoxymethyl)-4-methylthiane
CID 176603770
2-[2-[(E)-prop-1-enoxy]ethyl]-1,4-dithiane
CID 176603977
4-(1-Ethenoxyethyl)thiane
CID 176604130

Frequently Asked Questions

What is the IUPAC name of 2-(ethenoxymethyl)-2-ethyl-1,4-dithiane?
The IUPAC name of 2-(ethenoxymethyl)-2-ethyl-1,4-dithiane (CID 176604388) is 2-(ethenoxymethyl)-2-ethyl-1,4-dithiane.
What is the SMILES notation for 2-(ethenoxymethyl)-2-ethyl-1,4-dithiane?
The canonical SMILES for 2-(ethenoxymethyl)-2-ethyl-1,4-dithiane is C=COCC1(CC)CSCCS1.
What is the InChIKey of 2-(ethenoxymethyl)-2-ethyl-1,4-dithiane?
The InChIKey is CRQQTAMHVWWDNF-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H16OS2/c1-3-9(7-10-4-2)8-11-5-6-12-9/h4H,2-3,5-8H2,1H3.
What are the key properties of 2-(ethenoxymethyl)-2-ethyl-1,4-dithiane?
2-(ethenoxymethyl)-2-ethyl-1,4-dithiane has a molecular weight of 204.36 g/mol, XLogP of 2.78, 4 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(ethenoxymethyl)-2-ethyl-1,4-dithiane is sourced from PubChem (CID 176604388), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).