ethane;methylsulfanylethane;penta-1,4-diene;(Z)-pent-2-ene

C15H32S — CID 142609850

IUPACethane;methylsulfanylethane;penta-1,4-diene;(Z)-pent-2-ene
SMILESC/C=C\CC.C=CCC=C.CC.CCSC
InChIInChI=1S/C5H10.C5H8.C3H8S.C2H6/c2*1-3-5-4-2;1-3-4-2;1-2/h3,5H,4H2,1-2H3;3-4H,1-2,5H2;3H2,1-2H3;1-2H3/b5-3-;;;
InChIKeyGMJAJCJJZIFAGB-FEMJVSHYSA-N
MW244.49 g/mol
LogP6.12
Rot. Bonds4

About ethane;methylsulfanylethane;penta-1,4-diene;(Z)-pent-2-ene

ethane;methylsulfanylethane;penta-1,4-diene;(Z)-pent-2-ene (PubChem CID 142609850) has the molecular formula C15H32S and a molecular weight of 244.49 g/mol. Its IUPAC name is ethane;methylsulfanylethane;penta-1,4-diene;(Z)-pent-2-ene.

Molecular Properties

Compound Nameethane;methylsulfanylethane;penta-1,4-diene;(Z)-pent-2-ene
PubChem CID142609850
Molecular FormulaC15H32S
Molecular Weight244.49 g/mol
Exact Mass244.22
IUPAC Nameethane;methylsulfanylethane;penta-1,4-diene;(Z)-pent-2-ene
SMILESC/C=C\CC.C=CCC=C.CC.CCSC
InChIInChI=1S/C5H10.C5H8.C3H8S.C2H6/c2*1-3-5-4-2;1-3-4-2;1-2/h3,5H,4H2,1-2H3;3-4H,1-2,5H2;3H2,1-2H3;1-2H3/b5-3-;;;
InChIKeyGMJAJCJJZIFAGB-FEMJVSHYSA-N
XLogP6.12
TPSA0.00 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds4
Heavy Atoms16
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500244.49
LogP ≤ 56.12
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 101

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;methylsulfanylethane;penta-1,4-diene;(Z)-pent-2-ene?
The IUPAC name of ethane;methylsulfanylethane;penta-1,4-diene;(Z)-pent-2-ene (CID 142609850) is ethane;methylsulfanylethane;penta-1,4-diene;(Z)-pent-2-ene.
What is the SMILES notation for ethane;methylsulfanylethane;penta-1,4-diene;(Z)-pent-2-ene?
The canonical SMILES for ethane;methylsulfanylethane;penta-1,4-diene;(Z)-pent-2-ene is C/C=C\CC.C=CCC=C.CC.CCSC.
What is the InChIKey of ethane;methylsulfanylethane;penta-1,4-diene;(Z)-pent-2-ene?
The InChIKey is GMJAJCJJZIFAGB-FEMJVSHYSA-N. The full InChI is InChI=1S/C5H10.C5H8.C3H8S.C2H6/c2*1-3-5-4-2;1-3-4-2;1-2/h3,5H,4H2,1-2H3;3-4H,1-2,5H2;3H2,1-2H3;1-2H3/b5-3-;;;.
What are the key properties of ethane;methylsulfanylethane;penta-1,4-diene;(Z)-pent-2-ene?
ethane;methylsulfanylethane;penta-1,4-diene;(Z)-pent-2-ene has a molecular weight of 244.49 g/mol, XLogP of 6.12, 4 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for ethane;methylsulfanylethane;penta-1,4-diene;(Z)-pent-2-ene is sourced from PubChem (CID 142609850), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).