(4S)-2-butylsulfinyl-4-ethyl-3-methylideneoct-1-ene

C15H28OS — CID 89281869

IUPAC(4S)-2-butylsulfinyl-4-ethyl-3-methylideneoct-1-ene
SMILESC=C(C(=C)S(=O)CCCC)[C@@H](CC)CCCC
InChIInChI=1S/C15H28OS/c1-6-9-11-15(8-3)13(4)14(5)17(16)12-10-7-2/h15H,4-12H2,1-3H3/t15-,17?/m0/s1
InChIKeyNBYMPVGDGJDUJQ-MYJWUSKBSA-N
MW256.45 g/mol
LogP4.82
Rot. Bonds10

About (4S)-2-butylsulfinyl-4-ethyl-3-methylideneoct-1-ene

(4S)-2-butylsulfinyl-4-ethyl-3-methylideneoct-1-ene (PubChem CID 89281869) has the molecular formula C15H28OS and a molecular weight of 256.45 g/mol. Its IUPAC name is (4S)-2-butylsulfinyl-4-ethyl-3-methylideneoct-1-ene.

Molecular Properties

Compound Name(4S)-2-butylsulfinyl-4-ethyl-3-methylideneoct-1-ene
PubChem CID89281869
Molecular FormulaC15H28OS
Molecular Weight256.45 g/mol
Exact Mass256.19
IUPAC Name(4S)-2-butylsulfinyl-4-ethyl-3-methylideneoct-1-ene
SMILESC=C(C(=C)S(=O)CCCC)[C@@H](CC)CCCC
InChIInChI=1S/C15H28OS/c1-6-9-11-15(8-3)13(4)14(5)17(16)12-10-7-2/h15H,4-12H2,1-3H3/t15-,17?/m0/s1
InChIKeyNBYMPVGDGJDUJQ-MYJWUSKBSA-N
XLogP4.82
TPSA17.07 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds10
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500256.45
LogP ≤ 54.82
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 101

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of (4S)-2-butylsulfinyl-4-ethyl-3-methylideneoct-1-ene?
The IUPAC name of (4S)-2-butylsulfinyl-4-ethyl-3-methylideneoct-1-ene (CID 89281869) is (4S)-2-butylsulfinyl-4-ethyl-3-methylideneoct-1-ene.
What is the SMILES notation for (4S)-2-butylsulfinyl-4-ethyl-3-methylideneoct-1-ene?
The canonical SMILES for (4S)-2-butylsulfinyl-4-ethyl-3-methylideneoct-1-ene is C=C(C(=C)S(=O)CCCC)[C@@H](CC)CCCC.
What is the InChIKey of (4S)-2-butylsulfinyl-4-ethyl-3-methylideneoct-1-ene?
The InChIKey is NBYMPVGDGJDUJQ-MYJWUSKBSA-N. The full InChI is InChI=1S/C15H28OS/c1-6-9-11-15(8-3)13(4)14(5)17(16)12-10-7-2/h15H,4-12H2,1-3H3/t15-,17?/m0/s1.
What are the key properties of (4S)-2-butylsulfinyl-4-ethyl-3-methylideneoct-1-ene?
(4S)-2-butylsulfinyl-4-ethyl-3-methylideneoct-1-ene has a molecular weight of 256.45 g/mol, XLogP of 4.82, 10 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for (4S)-2-butylsulfinyl-4-ethyl-3-methylideneoct-1-ene is sourced from PubChem (CID 89281869), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).