1-sulfanyldodecan-1-ol

C12H26OS — CID 10376107

IUPAC1-sulfanyldodecan-1-ol
SMILESCCCCCCCCCCCC(O)S
InChIInChI=1S/C12H26OS/c1-2-3-4-5-6-7-8-9-10-11-12(13)14/h12-14H,2-11H2,1H3
InChIKeyRDYNOBRVAXWVOK-UHFFFAOYSA-N
MW218.41 g/mol
LogP4.16
Rot. Bonds10

About 1-sulfanyldodecan-1-ol

1-sulfanyldodecan-1-ol (PubChem CID 10376107) has the molecular formula C12H26OS and a molecular weight of 218.41 g/mol. Its IUPAC name is 1-sulfanyldodecan-1-ol.

Molecular Properties

Compound Name1-sulfanyldodecan-1-ol
PubChem CID10376107
Molecular FormulaC12H26OS
Molecular Weight218.41 g/mol
Exact Mass218.17
IUPAC Name1-sulfanyldodecan-1-ol
SMILESCCCCCCCCCCCC(O)S
InChIInChI=1S/C12H26OS/c1-2-3-4-5-6-7-8-9-10-11-12(13)14/h12-14H,2-11H2,1H3
InChIKeyRDYNOBRVAXWVOK-UHFFFAOYSA-N
XLogP4.16
TPSA20.23 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds10
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500218.41
LogP ≤ 54.16
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}, {'alert_name': 'het-C-het_not_in_ring', 'substructure': 'N/A'}, {'alert_name': 'thiol_2', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of 1-sulfanyldodecan-1-ol?
The IUPAC name of 1-sulfanyldodecan-1-ol (CID 10376107) is 1-sulfanyldodecan-1-ol.
What is the SMILES notation for 1-sulfanyldodecan-1-ol?
The canonical SMILES for 1-sulfanyldodecan-1-ol is CCCCCCCCCCCC(O)S.
What is the InChIKey of 1-sulfanyldodecan-1-ol?
The InChIKey is RDYNOBRVAXWVOK-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H26OS/c1-2-3-4-5-6-7-8-9-10-11-12(13)14/h12-14H,2-11H2,1H3.
What are the key properties of 1-sulfanyldodecan-1-ol?
1-sulfanyldodecan-1-ol has a molecular weight of 218.41 g/mol, XLogP of 4.16, 10 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1-sulfanyldodecan-1-ol is sourced from PubChem (CID 10376107), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).