ethane;4-ethenylhex-5-enyl-ethoxy-methoxy-methyl-λ4-sulfane

C14H30O2S — CID 163276255

IUPACethane;4-ethenylhex-5-enyl-ethoxy-methoxy-methyl-λ4-sulfane
SMILESC=CC(C=C)CCCS(C)(OC)OCC.CC
InChIInChI=1S/C12H24O2S.C2H6/c1-6-12(7-2)10-9-11-15(5,13-4)14-8-3;1-2/h6-7,12H,1-2,8-11H2,3-5H3;1-2H3
InChIKeyKSIZICBZYFIYQK-UHFFFAOYSA-N
MW262.46 g/mol
LogP4.73
Rot. Bonds9

About ethane;4-ethenylhex-5-enyl-ethoxy-methoxy-methyl-λ4-sulfane

ethane;4-ethenylhex-5-enyl-ethoxy-methoxy-methyl-λ4-sulfane (PubChem CID 163276255) has the molecular formula C14H30O2S and a molecular weight of 262.46 g/mol. Its IUPAC name is ethane;4-ethenylhex-5-enyl-ethoxy-methoxy-methyl-λ4-sulfane.

Molecular Properties

Compound Nameethane;4-ethenylhex-5-enyl-ethoxy-methoxy-methyl-λ4-sulfane
PubChem CID163276255
Molecular FormulaC14H30O2S
Molecular Weight262.46 g/mol
Exact Mass262.20
IUPAC Nameethane;4-ethenylhex-5-enyl-ethoxy-methoxy-methyl-λ4-sulfane
SMILESC=CC(C=C)CCCS(C)(OC)OCC.CC
InChIInChI=1S/C12H24O2S.C2H6/c1-6-12(7-2)10-9-11-15(5,13-4)14-8-3;1-2/h6-7,12H,1-2,8-11H2,3-5H3;1-2H3
InChIKeyKSIZICBZYFIYQK-UHFFFAOYSA-N
XLogP4.73
TPSA18.46 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds9
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500262.46
LogP ≤ 54.73
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'isolated_alkene', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of ethane;4-ethenylhex-5-enyl-ethoxy-methoxy-methyl-λ4-sulfane?
The IUPAC name of ethane;4-ethenylhex-5-enyl-ethoxy-methoxy-methyl-λ4-sulfane (CID 163276255) is ethane;4-ethenylhex-5-enyl-ethoxy-methoxy-methyl-λ4-sulfane.
What is the SMILES notation for ethane;4-ethenylhex-5-enyl-ethoxy-methoxy-methyl-λ4-sulfane?
The canonical SMILES for ethane;4-ethenylhex-5-enyl-ethoxy-methoxy-methyl-λ4-sulfane is C=CC(C=C)CCCS(C)(OC)OCC.CC.
What is the InChIKey of ethane;4-ethenylhex-5-enyl-ethoxy-methoxy-methyl-λ4-sulfane?
The InChIKey is KSIZICBZYFIYQK-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H24O2S.C2H6/c1-6-12(7-2)10-9-11-15(5,13-4)14-8-3;1-2/h6-7,12H,1-2,8-11H2,3-5H3;1-2H3.
What are the key properties of ethane;4-ethenylhex-5-enyl-ethoxy-methoxy-methyl-λ4-sulfane?
ethane;4-ethenylhex-5-enyl-ethoxy-methoxy-methyl-λ4-sulfane has a molecular weight of 262.46 g/mol, XLogP of 4.73, 9 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for ethane;4-ethenylhex-5-enyl-ethoxy-methoxy-methyl-λ4-sulfane is sourced from PubChem (CID 163276255), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).