1-ethylsulfanyltetradecane

C16H34S — CID 20788610

IUPAC1-ethylsulfanyltetradecane
SMILESCCCCCCCCCCCCCCSCC
InChIInChI=1S/C16H34S/c1-3-5-6-7-8-9-10-11-12-13-14-15-16-17-4-2/h3-16H2,1-2H3
InChIKeyUYADEHJVPVIVBT-UHFFFAOYSA-N
MW258.51 g/mol
LogP6.44
Rot. Bonds14

About 1-ethylsulfanyltetradecane

1-ethylsulfanyltetradecane (PubChem CID 20788610) has the molecular formula C16H34S and a molecular weight of 258.51 g/mol. Its IUPAC name is 1-ethylsulfanyltetradecane.

Molecular Properties

Compound Name1-ethylsulfanyltetradecane
PubChem CID20788610
Molecular FormulaC16H34S
Molecular Weight258.51 g/mol
Exact Mass258.24
IUPAC Name1-ethylsulfanyltetradecane
SMILESCCCCCCCCCCCCCCSCC
InChIInChI=1S/C16H34S/c1-3-5-6-7-8-9-10-11-12-13-14-15-16-17-4-2/h3-16H2,1-2H3
InChIKeyUYADEHJVPVIVBT-UHFFFAOYSA-N
XLogP6.44
TPSA0.00 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds14
Heavy Atoms17
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500258.51
LogP ≤ 56.44
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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Related Compounds

1-ethylsulfanyldodecane
CID 534448
1-tetracosylsulfanyloctacosane
CID 87077758
1-octadecylsulfanyloctacosane
CID 87077538
1-hexylsulfanyl-8-pentylsulfanyloctane
CID 167032436
1-nonylsulfanyldodecane
CID 87077738
1-dodecylsulfanylicosane
CID 87077505
1-hexylsulfanylicosane
CID 87077585
1-hexylsulfanyloctane
CID 15742910
1-hexylsulfanyloctadecane
CID 21424485
1-hexylsulfanyltetradecane
CID 87077491
1-tetracosylsulfanyltetracosane
CID 14647813
1-ethylsulfanyloctadec-9-ene
CID 57046814

Frequently Asked Questions

What is the IUPAC name of 1-ethylsulfanyltetradecane?
The IUPAC name of 1-ethylsulfanyltetradecane (CID 20788610) is 1-ethylsulfanyltetradecane.
What is the SMILES notation for 1-ethylsulfanyltetradecane?
The canonical SMILES for 1-ethylsulfanyltetradecane is CCCCCCCCCCCCCCSCC.
What is the InChIKey of 1-ethylsulfanyltetradecane?
The InChIKey is UYADEHJVPVIVBT-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H34S/c1-3-5-6-7-8-9-10-11-12-13-14-15-16-17-4-2/h3-16H2,1-2H3.
What are the key properties of 1-ethylsulfanyltetradecane?
1-ethylsulfanyltetradecane has a molecular weight of 258.51 g/mol, XLogP of 6.44, 14 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 1-ethylsulfanyltetradecane is sourced from PubChem (CID 20788610), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).