6-(1-pentylsulfanylethylidene)undecane

C18H36S — CID 87585456

IUPAC6-(1-pentylsulfanylethylidene)undecane
SMILESCCCCCSC(C)=C(CCCCC)CCCCC
InChIInChI=1S/C18H36S/c1-5-8-11-14-18(15-12-9-6-2)17(4)19-16-13-10-7-3/h5-16H2,1-4H3
InChIKeyZDKQJYDNPIZZKP-UHFFFAOYSA-N
MW284.55 g/mol
LogP7.34
Rot. Bonds13

About 6-(1-pentylsulfanylethylidene)undecane

6-(1-pentylsulfanylethylidene)undecane (PubChem CID 87585456) has the molecular formula C18H36S and a molecular weight of 284.55 g/mol. Its IUPAC name is 6-(1-pentylsulfanylethylidene)undecane.

Molecular Properties

Compound Name6-(1-pentylsulfanylethylidene)undecane
PubChem CID87585456
Molecular FormulaC18H36S
Molecular Weight284.55 g/mol
Exact Mass284.25
IUPAC Name6-(1-pentylsulfanylethylidene)undecane
SMILESCCCCCSC(C)=C(CCCCC)CCCCC
InChIInChI=1S/C18H36S/c1-5-8-11-14-18(15-12-9-6-2)17(4)19-16-13-10-7-3/h5-16H2,1-4H3
InChIKeyZDKQJYDNPIZZKP-UHFFFAOYSA-N
XLogP7.34
TPSA0.00 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds13
Heavy Atoms19
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500284.55
LogP ≤ 57.34
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 101

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of 6-(1-pentylsulfanylethylidene)undecane?
The IUPAC name of 6-(1-pentylsulfanylethylidene)undecane (CID 87585456) is 6-(1-pentylsulfanylethylidene)undecane.
What is the SMILES notation for 6-(1-pentylsulfanylethylidene)undecane?
The canonical SMILES for 6-(1-pentylsulfanylethylidene)undecane is CCCCCSC(C)=C(CCCCC)CCCCC.
What is the InChIKey of 6-(1-pentylsulfanylethylidene)undecane?
The InChIKey is ZDKQJYDNPIZZKP-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H36S/c1-5-8-11-14-18(15-12-9-6-2)17(4)19-16-13-10-7-3/h5-16H2,1-4H3.
What are the key properties of 6-(1-pentylsulfanylethylidene)undecane?
6-(1-pentylsulfanylethylidene)undecane has a molecular weight of 284.55 g/mol, XLogP of 7.34, 13 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 6-(1-pentylsulfanylethylidene)undecane is sourced from PubChem (CID 87585456), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).