3-dodecylsulfinylpropane-1,2-diol

C15H32O3S — CID 154087122

IUPAC3-dodecylsulfinylpropane-1,2-diol
SMILESCCCCCCCCCCCCS(=O)CC(O)CO
InChIInChI=1S/C15H32O3S/c1-2-3-4-5-6-7-8-9-10-11-12-19(18)14-15(17)13-16/h15-17H,2-14H2,1H3
InChIKeyUJJXOPOLZZDNLS-UHFFFAOYSA-N
MW292.48 g/mol
LogP3.01
Rot. Bonds14

About 3-dodecylsulfinylpropane-1,2-diol

3-dodecylsulfinylpropane-1,2-diol (PubChem CID 154087122) has the molecular formula C15H32O3S and a molecular weight of 292.48 g/mol. Its IUPAC name is 3-dodecylsulfinylpropane-1,2-diol.

Molecular Properties

Compound Name3-dodecylsulfinylpropane-1,2-diol
PubChem CID154087122
Molecular FormulaC15H32O3S
Molecular Weight292.48 g/mol
Exact Mass292.21
IUPAC Name3-dodecylsulfinylpropane-1,2-diol
SMILESCCCCCCCCCCCCS(=O)CC(O)CO
InChIInChI=1S/C15H32O3S/c1-2-3-4-5-6-7-8-9-10-11-12-19(18)14-15(17)13-16/h15-17H,2-14H2,1H3
InChIKeyUJJXOPOLZZDNLS-UHFFFAOYSA-N
XLogP3.01
TPSA57.53 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds14
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500292.48
LogP ≤ 53.01
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

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Related Compounds

1-chloro-3-octylsulfinylpropan-2-ol
CID 42648091
(2R)-1-[(S)-dodecylsulfinyl]propan-2-ol
CID 98534105
tetradecylsulfinylmethanol
CID 88782233
1-heptadecylsulfinylheptadecane
CID 54059826
3-pentylsulfinylpropan-1-ol
CID 12518269
1-ethylsulfinyloctane
CID 54141160
1-ethylsulfinylhexane
CID 18965294
N-butyl-2-(2,3-dihydroxypropylsulfinyl)-N-methylacetamide
CID 123117550
methyl 3-heptylsulfinyl-2-methylpropanoate
CID 66112900
2-amino-3-pentylsulfinylpropanoic acid
CID 103846087
(2R)-octane-1,2-diol
CID 6994435
(2R)-decane-1,2-diol
CID 10888425

Frequently Asked Questions

What is the IUPAC name of 3-dodecylsulfinylpropane-1,2-diol?
The IUPAC name of 3-dodecylsulfinylpropane-1,2-diol (CID 154087122) is 3-dodecylsulfinylpropane-1,2-diol.
What is the SMILES notation for 3-dodecylsulfinylpropane-1,2-diol?
The canonical SMILES for 3-dodecylsulfinylpropane-1,2-diol is CCCCCCCCCCCCS(=O)CC(O)CO.
What is the InChIKey of 3-dodecylsulfinylpropane-1,2-diol?
The InChIKey is UJJXOPOLZZDNLS-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H32O3S/c1-2-3-4-5-6-7-8-9-10-11-12-19(18)14-15(17)13-16/h15-17H,2-14H2,1H3.
What are the key properties of 3-dodecylsulfinylpropane-1,2-diol?
3-dodecylsulfinylpropane-1,2-diol has a molecular weight of 292.48 g/mol, XLogP of 3.01, 14 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 3-dodecylsulfinylpropane-1,2-diol is sourced from PubChem (CID 154087122), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).