(E)-2-dodecylsulfanylethenol

C14H28OS — CID 89350404

IUPAC(E)-2-dodecylsulfanylethenol
SMILESCCCCCCCCCCCCS/C=C/O
InChIInChI=1S/C14H28OS/c1-2-3-4-5-6-7-8-9-10-11-13-16-14-12-15/h12,14-15H,2-11,13H2,1H3/b14-12+
InChIKeyDFANSNNFVZUAIZ-WYMLVPIESA-N
MW244.44 g/mol
LogP5.67
Rot. Bonds12

About (E)-2-dodecylsulfanylethenol

(E)-2-dodecylsulfanylethenol (PubChem CID 89350404) has the molecular formula C14H28OS and a molecular weight of 244.44 g/mol. Its IUPAC name is (E)-2-dodecylsulfanylethenol.

Molecular Properties

Compound Name(E)-2-dodecylsulfanylethenol
PubChem CID89350404
Molecular FormulaC14H28OS
Molecular Weight244.44 g/mol
Exact Mass244.19
IUPAC Name(E)-2-dodecylsulfanylethenol
SMILESCCCCCCCCCCCCS/C=C/O
InChIInChI=1S/C14H28OS/c1-2-3-4-5-6-7-8-9-10-11-13-16-14-12-15/h12,14-15H,2-11,13H2,1H3/b14-12+
InChIKeyDFANSNNFVZUAIZ-WYMLVPIESA-N
XLogP5.67
TPSA20.23 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds12
Heavy Atoms16
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500244.44
LogP ≤ 55.67
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'acyclic_C=C-O', 'substructure': 'N/A'}, {'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of (E)-2-dodecylsulfanylethenol?
The IUPAC name of (E)-2-dodecylsulfanylethenol (CID 89350404) is (E)-2-dodecylsulfanylethenol.
What is the SMILES notation for (E)-2-dodecylsulfanylethenol?
The canonical SMILES for (E)-2-dodecylsulfanylethenol is CCCCCCCCCCCCS/C=C/O.
What is the InChIKey of (E)-2-dodecylsulfanylethenol?
The InChIKey is DFANSNNFVZUAIZ-WYMLVPIESA-N. The full InChI is InChI=1S/C14H28OS/c1-2-3-4-5-6-7-8-9-10-11-13-16-14-12-15/h12,14-15H,2-11,13H2,1H3/b14-12+.
What are the key properties of (E)-2-dodecylsulfanylethenol?
(E)-2-dodecylsulfanylethenol has a molecular weight of 244.44 g/mol, XLogP of 5.67, 12 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for (E)-2-dodecylsulfanylethenol is sourced from PubChem (CID 89350404), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).