3-dodecylsulfinylprop-1-en-2-ol

C15H30O2S — CID 88815139

IUPAC3-dodecylsulfinylprop-1-en-2-ol
SMILESC=C(O)CS(=O)CCCCCCCCCCCC
InChIInChI=1S/C15H30O2S/c1-3-4-5-6-7-8-9-10-11-12-13-18(17)14-15(2)16/h16H,2-14H2,1H3
InChIKeyHYYVNVOOWXSWBA-UHFFFAOYSA-N
MW274.47 g/mol
LogP4.73
Rot. Bonds13

About 3-dodecylsulfinylprop-1-en-2-ol

3-dodecylsulfinylprop-1-en-2-ol (PubChem CID 88815139) has the molecular formula C15H30O2S and a molecular weight of 274.47 g/mol. Its IUPAC name is 3-dodecylsulfinylprop-1-en-2-ol.

Molecular Properties

Compound Name3-dodecylsulfinylprop-1-en-2-ol
PubChem CID88815139
Molecular FormulaC15H30O2S
Molecular Weight274.47 g/mol
Exact Mass274.20
IUPAC Name3-dodecylsulfinylprop-1-en-2-ol
SMILESC=C(O)CS(=O)CCCCCCCCCCCC
InChIInChI=1S/C15H30O2S/c1-3-4-5-6-7-8-9-10-11-12-13-18(17)14-15(2)16/h16H,2-14H2,1H3
InChIKeyHYYVNVOOWXSWBA-UHFFFAOYSA-N
XLogP4.73
TPSA37.30 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds13
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500274.47
LogP ≤ 54.73
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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Related Compounds

tetradecylsulfinylmethanol
CID 88782233
1-ethylsulfinyloctane
CID 54141160
1-ethylsulfinylhexane
CID 18965294
1-heptadecylsulfinylheptadecane
CID 54059826
3-pentylsulfinylpropan-1-ol
CID 12518269
1-(2-fluoroethylsulfinyl)pentane
CID 56992126
pentadecane-1-sulfinic acid
CID 20739365
1-butylsulfinylpropan-2-one
CID 64640941
(2R)-1-[(S)-dodecylsulfinyl]propan-2-ol
CID 98534105
3-octylsulfinylprop-1-en-1-ol
CID 173239432
3-[(S)-octylsulfinyl]propanamide
CID 98083877
1-methylsulfinylicosane
CID 53482744

Frequently Asked Questions

What is the IUPAC name of 3-dodecylsulfinylprop-1-en-2-ol?
The IUPAC name of 3-dodecylsulfinylprop-1-en-2-ol (CID 88815139) is 3-dodecylsulfinylprop-1-en-2-ol.
What is the SMILES notation for 3-dodecylsulfinylprop-1-en-2-ol?
The canonical SMILES for 3-dodecylsulfinylprop-1-en-2-ol is C=C(O)CS(=O)CCCCCCCCCCCC.
What is the InChIKey of 3-dodecylsulfinylprop-1-en-2-ol?
The InChIKey is HYYVNVOOWXSWBA-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H30O2S/c1-3-4-5-6-7-8-9-10-11-12-13-18(17)14-15(2)16/h16H,2-14H2,1H3.
What are the key properties of 3-dodecylsulfinylprop-1-en-2-ol?
3-dodecylsulfinylprop-1-en-2-ol has a molecular weight of 274.47 g/mol, XLogP of 4.73, 13 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 3-dodecylsulfinylprop-1-en-2-ol is sourced from PubChem (CID 88815139), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).