2-dodeca-2,6,10-trienylsulfanylethanol

C14H24OS — CID 54464560

IUPAC2-dodeca-2,6,10-trienylsulfanylethanol
SMILESCC=CCCC=CCCC=CCSCCO
InChIInChI=1S/C14H24OS/c1-2-3-4-5-6-7-8-9-10-11-13-16-14-12-15/h2-3,6-7,10-11,15H,4-5,8-9,12-14H2,1H3
InChIKeyXDYHQJNQELNBEC-UHFFFAOYSA-N
MW240.41 g/mol
LogP3.96
Rot. Bonds10

About 2-dodeca-2,6,10-trienylsulfanylethanol

2-dodeca-2,6,10-trienylsulfanylethanol (PubChem CID 54464560) has the molecular formula C14H24OS and a molecular weight of 240.41 g/mol. Its IUPAC name is 2-dodeca-2,6,10-trienylsulfanylethanol.

Molecular Properties

Compound Name2-dodeca-2,6,10-trienylsulfanylethanol
PubChem CID54464560
Molecular FormulaC14H24OS
Molecular Weight240.41 g/mol
Exact Mass240.15
IUPAC Name2-dodeca-2,6,10-trienylsulfanylethanol
SMILESCC=CCCC=CCCC=CCSCCO
InChIInChI=1S/C14H24OS/c1-2-3-4-5-6-7-8-9-10-11-13-16-14-12-15/h2-3,6-7,10-11,15H,4-5,8-9,12-14H2,1H3
InChIKeyXDYHQJNQELNBEC-UHFFFAOYSA-N
XLogP3.96
TPSA20.23 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds10
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500240.41
LogP ≤ 53.96
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of 2-dodeca-2,6,10-trienylsulfanylethanol?
The IUPAC name of 2-dodeca-2,6,10-trienylsulfanylethanol (CID 54464560) is 2-dodeca-2,6,10-trienylsulfanylethanol.
What is the SMILES notation for 2-dodeca-2,6,10-trienylsulfanylethanol?
The canonical SMILES for 2-dodeca-2,6,10-trienylsulfanylethanol is CC=CCCC=CCCC=CCSCCO.
What is the InChIKey of 2-dodeca-2,6,10-trienylsulfanylethanol?
The InChIKey is XDYHQJNQELNBEC-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H24OS/c1-2-3-4-5-6-7-8-9-10-11-13-16-14-12-15/h2-3,6-7,10-11,15H,4-5,8-9,12-14H2,1H3.
What are the key properties of 2-dodeca-2,6,10-trienylsulfanylethanol?
2-dodeca-2,6,10-trienylsulfanylethanol has a molecular weight of 240.41 g/mol, XLogP of 3.96, 10 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-dodeca-2,6,10-trienylsulfanylethanol is sourced from PubChem (CID 54464560), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).