1-nonylsulfanyldodecane

C21H44S — CID 87077738

IUPAC1-nonylsulfanyldodecane
SMILESCCCCCCCCCCCCSCCCCCCCCC
InChIInChI=1S/C21H44S/c1-3-5-7-9-11-12-13-15-17-19-21-22-20-18-16-14-10-8-6-4-2/h3-21H2,1-2H3
InChIKeyARGFAAQZPLNHAK-UHFFFAOYSA-N
MW328.65 g/mol
LogP8.39
Rot. Bonds19

About 1-nonylsulfanyldodecane

1-nonylsulfanyldodecane (PubChem CID 87077738) has the molecular formula C21H44S and a molecular weight of 328.65 g/mol. Its IUPAC name is 1-nonylsulfanyldodecane.

Molecular Properties

Compound Name1-nonylsulfanyldodecane
PubChem CID87077738
Molecular FormulaC21H44S
Molecular Weight328.65 g/mol
Exact Mass328.32
IUPAC Name1-nonylsulfanyldodecane
SMILESCCCCCCCCCCCCSCCCCCCCCC
InChIInChI=1S/C21H44S/c1-3-5-7-9-11-12-13-15-17-19-21-22-20-18-16-14-10-8-6-4-2/h3-21H2,1-2H3
InChIKeyARGFAAQZPLNHAK-UHFFFAOYSA-N
XLogP8.39
TPSA0.00 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds19
Heavy Atoms22
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500328.65
LogP ≤ 58.39
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-octadecylsulfanyloctacosane
CID 87077538
1-hexylsulfanyl-8-pentylsulfanyloctane
CID 167032436
1-dodecylsulfanylicosane
CID 87077505
1-tetracosylsulfanyloctacosane
CID 87077758
1-hexylsulfanylicosane
CID 87077585
1-hexylsulfanyloctane
CID 15742910
1-hexylsulfanyloctadecane
CID 21424485
1-hexylsulfanyltetradecane
CID 87077491
1-tetracosylsulfanyltetracosane
CID 14647813
1-decylsulfanyldecane;hydrofluoride
CID 174965550
1-(3-hexadecylsulfanylpropylsulfanyl)hexadecane
CID 157137838
1-propylsulfanylhexadecane
CID 19914808

Frequently Asked Questions

What is the IUPAC name of 1-nonylsulfanyldodecane?
The IUPAC name of 1-nonylsulfanyldodecane (CID 87077738) is 1-nonylsulfanyldodecane.
What is the SMILES notation for 1-nonylsulfanyldodecane?
The canonical SMILES for 1-nonylsulfanyldodecane is CCCCCCCCCCCCSCCCCCCCCC.
What is the InChIKey of 1-nonylsulfanyldodecane?
The InChIKey is ARGFAAQZPLNHAK-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H44S/c1-3-5-7-9-11-12-13-15-17-19-21-22-20-18-16-14-10-8-6-4-2/h3-21H2,1-2H3.
What are the key properties of 1-nonylsulfanyldodecane?
1-nonylsulfanyldodecane has a molecular weight of 328.65 g/mol, XLogP of 8.39, 19 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 1-nonylsulfanyldodecane is sourced from PubChem (CID 87077738), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).