hydroxy-dimethyl-octadecyl-λ4-sulfane

C20H44OS — CID 163231362

IUPAChydroxy-dimethyl-octadecyl-λ4-sulfane
SMILESCCCCCCCCCCCCCCCCCCS(C)(C)O
InChIInChI=1S/C20H44OS/c1-4-5-6-7-8-9-10-11-12-13-14-15-16-17-18-19-20-22(2,3)21/h21H,4-20H2,1-3H3
InChIKeyNHZLOAUKLHPNLF-UHFFFAOYSA-N
MW332.64 g/mol
LogP7.79
Rot. Bonds17

About hydroxy-dimethyl-octadecyl-λ4-sulfane

hydroxy-dimethyl-octadecyl-λ4-sulfane (PubChem CID 163231362) has the molecular formula C20H44OS and a molecular weight of 332.64 g/mol. Its IUPAC name is hydroxy-dimethyl-octadecyl-λ4-sulfane.

Molecular Properties

Compound Namehydroxy-dimethyl-octadecyl-λ4-sulfane
PubChem CID163231362
Molecular FormulaC20H44OS
Molecular Weight332.64 g/mol
Exact Mass332.31
IUPAC Namehydroxy-dimethyl-octadecyl-λ4-sulfane
SMILESCCCCCCCCCCCCCCCCCCS(C)(C)O
InChIInChI=1S/C20H44OS/c1-4-5-6-7-8-9-10-11-12-13-14-15-16-17-18-19-20-22(2,3)21/h21H,4-20H2,1-3H3
InChIKeyNHZLOAUKLHPNLF-UHFFFAOYSA-N
XLogP7.79
TPSA20.23 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds17
Heavy Atoms22
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500332.64
LogP ≤ 57.79
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 101

Computed Properties (RDKit)

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

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Related Compounds

trihexyl(methyl)-λ4-sulfane
CID 138739733
3-[dimethyl(octadecyl)-λ4-sulfanyl]propan-1-ol
CID 152716208
heptyl(trimethyl)-λ4-sulfane
CID 155014090
decane-1-sulfonic acid
CID 157391186
butyl-heptyl-dimethyl-λ4-sulfane
CID 123547553
azanium octadecane-1-sulfonic acid
CID 20560144
decane-1-sulfonic acid;silver
CID 72587294
azane;octadecane-1-sulfonic acid
CID 173437409
copper;dodecane-1-sulfonic acid
CID 87837218
CID 87263567
CID 87263567
sulfuric acid;tridecane
CID 91872702
1-methylsulfonylnonane
CID 19089493

Frequently Asked Questions

What is the IUPAC name of hydroxy-dimethyl-octadecyl-λ4-sulfane?
The IUPAC name of hydroxy-dimethyl-octadecyl-λ4-sulfane (CID 163231362) is hydroxy-dimethyl-octadecyl-λ4-sulfane.
What is the SMILES notation for hydroxy-dimethyl-octadecyl-λ4-sulfane?
The canonical SMILES for hydroxy-dimethyl-octadecyl-λ4-sulfane is CCCCCCCCCCCCCCCCCCS(C)(C)O.
What is the InChIKey of hydroxy-dimethyl-octadecyl-λ4-sulfane?
The InChIKey is NHZLOAUKLHPNLF-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H44OS/c1-4-5-6-7-8-9-10-11-12-13-14-15-16-17-18-19-20-22(2,3)21/h21H,4-20H2,1-3H3.
What are the key properties of hydroxy-dimethyl-octadecyl-λ4-sulfane?
hydroxy-dimethyl-octadecyl-λ4-sulfane has a molecular weight of 332.64 g/mol, XLogP of 7.79, 17 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for hydroxy-dimethyl-octadecyl-λ4-sulfane is sourced from PubChem (CID 163231362), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).