12-sulfanyldodecan-1-ol

C12H26OS — CID 15274183

IUPAC12-sulfanyldodecan-1-ol
SMILESOCCCCCCCCCCCCS
InChIInChI=1S/C12H26OS/c13-11-9-7-5-3-1-2-4-6-8-10-12-14/h13-14H,1-12H2
InChIKeyGZIVLHHHMYFKKC-UHFFFAOYSA-N
MW218.41 g/mol
LogP3.81
Rot. Bonds11

About 12-sulfanyldodecan-1-ol

12-sulfanyldodecan-1-ol (PubChem CID 15274183) has the molecular formula C12H26OS and a molecular weight of 218.41 g/mol. Its IUPAC name is 12-sulfanyldodecan-1-ol.

Molecular Properties

Compound Name12-sulfanyldodecan-1-ol
PubChem CID15274183
Molecular FormulaC12H26OS
Molecular Weight218.41 g/mol
Exact Mass218.17
IUPAC Name12-sulfanyldodecan-1-ol
SMILESOCCCCCCCCCCCCS
InChIInChI=1S/C12H26OS/c13-11-9-7-5-3-1-2-4-6-8-10-12-14/h13-14H,1-12H2
InChIKeyGZIVLHHHMYFKKC-UHFFFAOYSA-N
XLogP3.81
TPSA20.23 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds11
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500218.41
LogP ≤ 53.81
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}, {'alert_name': 'thiol_2', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of 12-sulfanyldodecan-1-ol?
The IUPAC name of 12-sulfanyldodecan-1-ol (CID 15274183) is 12-sulfanyldodecan-1-ol.
What is the SMILES notation for 12-sulfanyldodecan-1-ol?
The canonical SMILES for 12-sulfanyldodecan-1-ol is OCCCCCCCCCCCCS.
What is the InChIKey of 12-sulfanyldodecan-1-ol?
The InChIKey is GZIVLHHHMYFKKC-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H26OS/c13-11-9-7-5-3-1-2-4-6-8-10-12-14/h13-14H,1-12H2.
What are the key properties of 12-sulfanyldodecan-1-ol?
12-sulfanyldodecan-1-ol has a molecular weight of 218.41 g/mol, XLogP of 3.81, 11 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 12-sulfanyldodecan-1-ol is sourced from PubChem (CID 15274183), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).