(Z)-3-dodecylsulfanylprop-2-en-1-ol

C15H30OS — CID 11184499

IUPAC(Z)-3-dodecylsulfanylprop-2-en-1-ol
SMILESCCCCCCCCCCCCS/C=C\CO
InChIInChI=1S/C15H30OS/c1-2-3-4-5-6-7-8-9-10-11-14-17-15-12-13-16/h12,15-16H,2-11,13-14H2,1H3/b15-12-
InChIKeyZODHFPYCRLASTC-QINSGFPZSA-N
MW258.47 g/mol
LogP5.15
Rot. Bonds13

About (Z)-3-dodecylsulfanylprop-2-en-1-ol

(Z)-3-dodecylsulfanylprop-2-en-1-ol (PubChem CID 11184499) has the molecular formula C15H30OS and a molecular weight of 258.47 g/mol. Its IUPAC name is (Z)-3-dodecylsulfanylprop-2-en-1-ol.

Molecular Properties

Compound Name(Z)-3-dodecylsulfanylprop-2-en-1-ol
PubChem CID11184499
Molecular FormulaC15H30OS
Molecular Weight258.47 g/mol
Exact Mass258.20
IUPAC Name(Z)-3-dodecylsulfanylprop-2-en-1-ol
SMILESCCCCCCCCCCCCS/C=C\CO
InChIInChI=1S/C15H30OS/c1-2-3-4-5-6-7-8-9-10-11-14-17-15-12-13-16/h12,15-16H,2-11,13-14H2,1H3/b15-12-
InChIKeyZODHFPYCRLASTC-QINSGFPZSA-N
XLogP5.15
TPSA20.23 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds13
Heavy Atoms17
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500258.47
LogP ≤ 55.15
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

Analyze (Z)-3-dodecylsulfanylprop-2-en-1-ol with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

3-Fluoro-3-hexylthio-2-propen-1-ol
CID 54174844
(Z)-3-fluoro-3-hexylsulfanylprop-2-en-1-ol
CID 88619235
2-Hydroxyethenyl n-octyl sulfide
CID 129736622
2-Pentylsulfanylprop-2-en-1-ol
CID 13331386
(Z)-3-pentylsulfanylprop-2-en-1-ol
CID 13331402
(Z)-3-cyclohexylsulfanylprop-2-en-1-ol
CID 13331410
2-Dodecylsulfanylprop-2-en-1-ol
CID 11149597
(E)-3-octylsulfanylbut-2-en-1-ol
CID 19843655
3-Octylsulfanylbut-2-en-1-ol
CID 53763022
3-Hexylthio-2-propenol
CID 54232710
(E)-4-octylsulfanylbut-2-en-1-ol
CID 59475652
4-Octylsulfanylbut-2-en-1-ol
CID 72302556

Frequently Asked Questions

What is the IUPAC name of (Z)-3-dodecylsulfanylprop-2-en-1-ol?
The IUPAC name of (Z)-3-dodecylsulfanylprop-2-en-1-ol (CID 11184499) is (Z)-3-dodecylsulfanylprop-2-en-1-ol.
What is the SMILES notation for (Z)-3-dodecylsulfanylprop-2-en-1-ol?
The canonical SMILES for (Z)-3-dodecylsulfanylprop-2-en-1-ol is CCCCCCCCCCCCS/C=C\CO.
What is the InChIKey of (Z)-3-dodecylsulfanylprop-2-en-1-ol?
The InChIKey is ZODHFPYCRLASTC-QINSGFPZSA-N. The full InChI is InChI=1S/C15H30OS/c1-2-3-4-5-6-7-8-9-10-11-14-17-15-12-13-16/h12,15-16H,2-11,13-14H2,1H3/b15-12-.
What are the key properties of (Z)-3-dodecylsulfanylprop-2-en-1-ol?
(Z)-3-dodecylsulfanylprop-2-en-1-ol has a molecular weight of 258.47 g/mol, XLogP of 5.15, 13 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for (Z)-3-dodecylsulfanylprop-2-en-1-ol is sourced from PubChem (CID 11184499), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).