but-1-ene;ethane;ethenylsulfanylethane;2-methylpropane

C14H32S — CID 143033404

IUPACbut-1-ene;ethane;ethenylsulfanylethane;2-methylpropane
SMILESC=CCC.C=CSCC.CC.CC(C)C
InChIInChI=1S/C4H8S.C4H10.C4H8.C2H6/c1-3-5-4-2;1-4(2)3;1-3-4-2;1-2/h3H,1,4H2,2H3;4H,1-3H3;3H,1,4H2,2H3;1-2H3
InChIKeyUDESAECOFYMMST-UHFFFAOYSA-N
MW232.48 g/mol
LogP6.15
Rot. Bonds3

About but-1-ene;ethane;ethenylsulfanylethane;2-methylpropane

but-1-ene;ethane;ethenylsulfanylethane;2-methylpropane (PubChem CID 143033404) has the molecular formula C14H32S and a molecular weight of 232.48 g/mol. Its IUPAC name is but-1-ene;ethane;ethenylsulfanylethane;2-methylpropane.

Molecular Properties

Compound Namebut-1-ene;ethane;ethenylsulfanylethane;2-methylpropane
PubChem CID143033404
Molecular FormulaC14H32S
Molecular Weight232.48 g/mol
Exact Mass232.22
IUPAC Namebut-1-ene;ethane;ethenylsulfanylethane;2-methylpropane
SMILESC=CCC.C=CSCC.CC.CC(C)C
InChIInChI=1S/C4H8S.C4H10.C4H8.C2H6/c1-3-5-4-2;1-4(2)3;1-3-4-2;1-2/h3H,1,4H2,2H3;4H,1-3H3;3H,1,4H2,2H3;1-2H3
InChIKeyUDESAECOFYMMST-UHFFFAOYSA-N
XLogP6.15
TPSA0.00 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds3
Heavy Atoms15
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500232.48
LogP ≤ 56.15
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 but-1-ene;ethane;ethenylsulfanylethane;2-methylpropane?
The IUPAC name of but-1-ene;ethane;ethenylsulfanylethane;2-methylpropane (CID 143033404) is but-1-ene;ethane;ethenylsulfanylethane;2-methylpropane.
What is the SMILES notation for but-1-ene;ethane;ethenylsulfanylethane;2-methylpropane?
The canonical SMILES for but-1-ene;ethane;ethenylsulfanylethane;2-methylpropane is C=CCC.C=CSCC.CC.CC(C)C.
What is the InChIKey of but-1-ene;ethane;ethenylsulfanylethane;2-methylpropane?
The InChIKey is UDESAECOFYMMST-UHFFFAOYSA-N. The full InChI is InChI=1S/C4H8S.C4H10.C4H8.C2H6/c1-3-5-4-2;1-4(2)3;1-3-4-2;1-2/h3H,1,4H2,2H3;4H,1-3H3;3H,1,4H2,2H3;1-2H3.
What are the key properties of but-1-ene;ethane;ethenylsulfanylethane;2-methylpropane?
but-1-ene;ethane;ethenylsulfanylethane;2-methylpropane has a molecular weight of 232.48 g/mol, XLogP of 6.15, 3 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for but-1-ene;ethane;ethenylsulfanylethane;2-methylpropane is sourced from PubChem (CID 143033404), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).