1-decylsulfanyldecane;hydrofluoride

C20H43FS — CID 174965550

IUPAC1-decylsulfanyldecane;hydrofluoride
SMILESCCCCCCCCCCSCCCCCCCCCC.F
InChIInChI=1S/C20H42S.FH/c1-3-5-7-9-11-13-15-17-19-21-20-18-16-14-12-10-8-6-4-2;/h3-20H2,1-2H3;1H
InChIKeyWOFMOMXYTVVZMZ-UHFFFAOYSA-N
MW334.63 g/mol
LogP8.15
Rot. Bonds18

About 1-decylsulfanyldecane;hydrofluoride

1-decylsulfanyldecane;hydrofluoride (PubChem CID 174965550) has the molecular formula C20H43FS and a molecular weight of 334.63 g/mol. Its IUPAC name is 1-decylsulfanyldecane;hydrofluoride.

Molecular Properties

Compound Name1-decylsulfanyldecane;hydrofluoride
PubChem CID174965550
Molecular FormulaC20H43FS
Molecular Weight334.63 g/mol
Exact Mass334.31
IUPAC Name1-decylsulfanyldecane;hydrofluoride
SMILESCCCCCCCCCCSCCCCCCCCCC.F
InChIInChI=1S/C20H42S.FH/c1-3-5-7-9-11-13-15-17-19-21-20-18-16-14-12-10-8-6-4-2;/h3-20H2,1-2H3;1H
InChIKeyWOFMOMXYTVVZMZ-UHFFFAOYSA-N
XLogP8.15
TPSA0.00 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds18
Heavy Atoms22
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500334.63
LogP ≤ 58.15
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-nonylsulfanyldodecane
CID 87077738
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-(3-hexadecylsulfanylpropylsulfanyl)hexadecane
CID 157137838
1-propylsulfanylhexadecane
CID 19914808

Frequently Asked Questions

What is the IUPAC name of 1-decylsulfanyldecane;hydrofluoride?
The IUPAC name of 1-decylsulfanyldecane;hydrofluoride (CID 174965550) is 1-decylsulfanyldecane;hydrofluoride.
What is the SMILES notation for 1-decylsulfanyldecane;hydrofluoride?
The canonical SMILES for 1-decylsulfanyldecane;hydrofluoride is CCCCCCCCCCSCCCCCCCCCC.F.
What is the InChIKey of 1-decylsulfanyldecane;hydrofluoride?
The InChIKey is WOFMOMXYTVVZMZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H42S.FH/c1-3-5-7-9-11-13-15-17-19-21-20-18-16-14-12-10-8-6-4-2;/h3-20H2,1-2H3;1H.
What are the key properties of 1-decylsulfanyldecane;hydrofluoride?
1-decylsulfanyldecane;hydrofluoride has a molecular weight of 334.63 g/mol, XLogP of 8.15, 18 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 1-decylsulfanyldecane;hydrofluoride is sourced from PubChem (CID 174965550), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).