(E)-1-ethylsulfanyl-3,7,11,15-tetramethylhexadec-2-ene

C22H44S — CID 59671986

IUPAC(E)-1-ethylsulfanyl-3,7,11,15-tetramethylhexadec-2-ene
SMILESCCSC/C=C(\C)CCCC(C)CCCC(C)CCCC(C)C
InChIInChI=1S/C22H44S/c1-7-23-18-17-22(6)16-10-15-21(5)14-9-13-20(4)12-8-11-19(2)3/h17,19-21H,7-16,18H2,1-6H3/b22-17+
InChIKeyRJSVMPCXJDUEDG-OQKWZONESA-N
MW340.66 g/mol
LogP8.12
Rot. Bonds15

About (E)-1-ethylsulfanyl-3,7,11,15-tetramethylhexadec-2-ene

(E)-1-ethylsulfanyl-3,7,11,15-tetramethylhexadec-2-ene (PubChem CID 59671986) has the molecular formula C22H44S and a molecular weight of 340.66 g/mol. Its IUPAC name is (E)-1-ethylsulfanyl-3,7,11,15-tetramethylhexadec-2-ene.

Molecular Properties

Compound Name(E)-1-ethylsulfanyl-3,7,11,15-tetramethylhexadec-2-ene
PubChem CID59671986
Molecular FormulaC22H44S
Molecular Weight340.66 g/mol
Exact Mass340.32
IUPAC Name(E)-1-ethylsulfanyl-3,7,11,15-tetramethylhexadec-2-ene
SMILESCCSC/C=C(\C)CCCC(C)CCCC(C)CCCC(C)C
InChIInChI=1S/C22H44S/c1-7-23-18-17-22(6)16-10-15-21(5)14-9-13-20(4)12-8-11-19(2)3/h17,19-21H,7-16,18H2,1-6H3/b22-17+
InChIKeyRJSVMPCXJDUEDG-OQKWZONESA-N
XLogP8.12
TPSA0.00 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds15
Heavy Atoms23
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500340.66
LogP ≤ 58.12
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 101

Computed Properties (RDKit)

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

Analyze (E)-1-ethylsulfanyl-3,7,11,15-tetramethylhexadec-2-ene with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Frequently Asked Questions

What is the IUPAC name of (E)-1-ethylsulfanyl-3,7,11,15-tetramethylhexadec-2-ene?
The IUPAC name of (E)-1-ethylsulfanyl-3,7,11,15-tetramethylhexadec-2-ene (CID 59671986) is (E)-1-ethylsulfanyl-3,7,11,15-tetramethylhexadec-2-ene.
What is the SMILES notation for (E)-1-ethylsulfanyl-3,7,11,15-tetramethylhexadec-2-ene?
The canonical SMILES for (E)-1-ethylsulfanyl-3,7,11,15-tetramethylhexadec-2-ene is CCSC/C=C(\C)CCCC(C)CCCC(C)CCCC(C)C.
What is the InChIKey of (E)-1-ethylsulfanyl-3,7,11,15-tetramethylhexadec-2-ene?
The InChIKey is RJSVMPCXJDUEDG-OQKWZONESA-N. The full InChI is InChI=1S/C22H44S/c1-7-23-18-17-22(6)16-10-15-21(5)14-9-13-20(4)12-8-11-19(2)3/h17,19-21H,7-16,18H2,1-6H3/b22-17+.
What are the key properties of (E)-1-ethylsulfanyl-3,7,11,15-tetramethylhexadec-2-ene?
(E)-1-ethylsulfanyl-3,7,11,15-tetramethylhexadec-2-ene has a molecular weight of 340.66 g/mol, XLogP of 8.12, 15 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for (E)-1-ethylsulfanyl-3,7,11,15-tetramethylhexadec-2-ene is sourced from PubChem (CID 59671986), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).