ethenoxymethylidene-dimethyl-prop-2-enylidene-λ6-sulfane

C8H14OS — CID 123174150

IUPACethenoxymethylidene-dimethyl-prop-2-enylidene-λ6-sulfane
SMILESC=CC=S(C)(C)=COC=C
InChIInChI=1S/C8H14OS/c1-5-7-10(3,4)8-9-6-2/h5-8H,1-2H2,3-4H3
InChIKeyCGEKYVXPUBGNPB-UHFFFAOYSA-N
MW158.27 g/mol
LogP1.96
Rot. Bonds3

About ethenoxymethylidene-dimethyl-prop-2-enylidene-λ6-sulfane

ethenoxymethylidene-dimethyl-prop-2-enylidene-λ6-sulfane (PubChem CID 123174150) has the molecular formula C8H14OS and a molecular weight of 158.27 g/mol. Its IUPAC name is ethenoxymethylidene-dimethyl-prop-2-enylidene-λ6-sulfane.

Molecular Properties

Compound Nameethenoxymethylidene-dimethyl-prop-2-enylidene-λ6-sulfane
PubChem CID123174150
Molecular FormulaC8H14OS
Molecular Weight158.27 g/mol
Exact Mass158.08
IUPAC Nameethenoxymethylidene-dimethyl-prop-2-enylidene-λ6-sulfane
SMILESC=CC=S(C)(C)=COC=C
InChIInChI=1S/C8H14OS/c1-5-7-10(3,4)8-9-6-2/h5-8H,1-2H2,3-4H3
InChIKeyCGEKYVXPUBGNPB-UHFFFAOYSA-N
XLogP1.96
TPSA9.23 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds3
Heavy Atoms10
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500158.27
LogP ≤ 51.96
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 101

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'thio_aldehyd_A(3)', 'substructure': 'N/A'}, {'alert_name': 'acyclic_C=C-O', 'substructure': 'N/A'}, {'alert_name': 'Michael_acceptor_1', 'substructure': 'N/A'}, {'alert_name': 'Thiocarbonyl_group', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of ethenoxymethylidene-dimethyl-prop-2-enylidene-λ6-sulfane?
The IUPAC name of ethenoxymethylidene-dimethyl-prop-2-enylidene-λ6-sulfane (CID 123174150) is ethenoxymethylidene-dimethyl-prop-2-enylidene-λ6-sulfane.
What is the SMILES notation for ethenoxymethylidene-dimethyl-prop-2-enylidene-λ6-sulfane?
The canonical SMILES for ethenoxymethylidene-dimethyl-prop-2-enylidene-λ6-sulfane is C=CC=S(C)(C)=COC=C.
What is the InChIKey of ethenoxymethylidene-dimethyl-prop-2-enylidene-λ6-sulfane?
The InChIKey is CGEKYVXPUBGNPB-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H14OS/c1-5-7-10(3,4)8-9-6-2/h5-8H,1-2H2,3-4H3.
What are the key properties of ethenoxymethylidene-dimethyl-prop-2-enylidene-λ6-sulfane?
ethenoxymethylidene-dimethyl-prop-2-enylidene-λ6-sulfane has a molecular weight of 158.27 g/mol, XLogP of 1.96, 3 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for ethenoxymethylidene-dimethyl-prop-2-enylidene-λ6-sulfane is sourced from PubChem (CID 123174150), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).