11-(octadecyldisulfanyl)undecan-1-ol

C29H60OS2 — CID 71356748

IUPAC11-(octadecyldisulfanyl)undecan-1-ol
SMILESCCCCCCCCCCCCCCCCCCSSCCCCCCCCCCCO
InChIInChI=1S/C29H60OS2/c1-2-3-4-5-6-7-8-9-10-11-12-13-16-19-22-25-28-31-32-29-26-23-20-17-14-15-18-21-24-27-30/h30H,2-29H2,1H3
InChIKeyKEXLFILBVSMSQR-UHFFFAOYSA-N
MW488.93 g/mol
LogP11.13
Rot. Bonds29

About 11-(octadecyldisulfanyl)undecan-1-ol

11-(octadecyldisulfanyl)undecan-1-ol (PubChem CID 71356748) has the molecular formula C29H60OS2 and a molecular weight of 488.93 g/mol. Its IUPAC name is 11-(octadecyldisulfanyl)undecan-1-ol.

Molecular Properties

Compound Name11-(octadecyldisulfanyl)undecan-1-ol
PubChem CID71356748
Molecular FormulaC29H60OS2
Molecular Weight488.93 g/mol
Exact Mass488.41
IUPAC Name11-(octadecyldisulfanyl)undecan-1-ol
SMILESCCCCCCCCCCCCCCCCCCSSCCCCCCCCCCCO
InChIInChI=1S/C29H60OS2/c1-2-3-4-5-6-7-8-9-10-11-12-13-16-19-22-25-28-31-32-29-26-23-20-17-14-15-18-21-24-27-30/h30H,2-29H2,1H3
InChIKeyKEXLFILBVSMSQR-UHFFFAOYSA-N
XLogP11.13
TPSA20.23 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds29
Heavy Atoms32
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500488.93
LogP ≤ 511.13
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of 11-(octadecyldisulfanyl)undecan-1-ol?
The IUPAC name of 11-(octadecyldisulfanyl)undecan-1-ol (CID 71356748) is 11-(octadecyldisulfanyl)undecan-1-ol.
What is the SMILES notation for 11-(octadecyldisulfanyl)undecan-1-ol?
The canonical SMILES for 11-(octadecyldisulfanyl)undecan-1-ol is CCCCCCCCCCCCCCCCCCSSCCCCCCCCCCCO.
What is the InChIKey of 11-(octadecyldisulfanyl)undecan-1-ol?
The InChIKey is KEXLFILBVSMSQR-UHFFFAOYSA-N. The full InChI is InChI=1S/C29H60OS2/c1-2-3-4-5-6-7-8-9-10-11-12-13-16-19-22-25-28-31-32-29-26-23-20-17-14-15-18-21-24-27-30/h30H,2-29H2,1H3.
What are the key properties of 11-(octadecyldisulfanyl)undecan-1-ol?
11-(octadecyldisulfanyl)undecan-1-ol has a molecular weight of 488.93 g/mol, XLogP of 11.13, 29 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 11-(octadecyldisulfanyl)undecan-1-ol is sourced from PubChem (CID 71356748), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).