(2R)-1-[(S)-dodecylsulfinyl]propan-2-ol

C15H32O2S — CID 98534105

IUPAC(2R)-1-[(S)-dodecylsulfinyl]propan-2-ol
SMILESCCCCCCCCCCCC[S@](=O)C[C@@H](C)O
InChIInChI=1S/C15H32O2S/c1-3-4-5-6-7-8-9-10-11-12-13-18(17)14-15(2)16/h15-16H,3-14H2,1-2H3/t15-,18+/m1/s1
InChIKeyMKMIQRZGJOVVSO-QAPCUYQASA-N
MW276.49 g/mol
LogP4.04
Rot. Bonds13

About (2R)-1-[(S)-dodecylsulfinyl]propan-2-ol

(2R)-1-[(S)-dodecylsulfinyl]propan-2-ol (PubChem CID 98534105) has the molecular formula C15H32O2S and a molecular weight of 276.49 g/mol. Its IUPAC name is (2R)-1-[(S)-dodecylsulfinyl]propan-2-ol.

Molecular Properties

Compound Name(2R)-1-[(S)-dodecylsulfinyl]propan-2-ol
PubChem CID98534105
Molecular FormulaC15H32O2S
Molecular Weight276.49 g/mol
Exact Mass276.21
IUPAC Name(2R)-1-[(S)-dodecylsulfinyl]propan-2-ol
SMILESCCCCCCCCCCCC[S@](=O)C[C@@H](C)O
InChIInChI=1S/C15H32O2S/c1-3-4-5-6-7-8-9-10-11-12-13-18(17)14-15(2)16/h15-16H,3-14H2,1-2H3/t15-,18+/m1/s1
InChIKeyMKMIQRZGJOVVSO-QAPCUYQASA-N
XLogP4.04
TPSA37.30 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds13
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500276.49
LogP ≤ 54.04
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

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Related Compounds

3-dodecylsulfinylpropane-1,2-diol
CID 154087122
1-chloro-3-octylsulfinylpropan-2-ol
CID 42648091
1-heptadecylsulfinylheptadecane
CID 54059826
methyl 3-heptylsulfinyl-2-methylpropanoate
CID 66112900
tetradecylsulfinylmethanol
CID 88782233
1-ethylsulfinyloctane
CID 54141160
1-ethylsulfinylhexane
CID 18965294
2-amino-3-pentylsulfinylpropanoic acid
CID 103846087
3-octylsulfinylprop-1-en-1-ol
CID 173239432
1-[(S)-propan-2-ylsulfinyl]decane
CID 10955441
3-pentylsulfinylpropan-1-ol
CID 12518269
3-dodecylsulfinylprop-1-en-2-ol
CID 88815139

Frequently Asked Questions

What is the IUPAC name of (2R)-1-[(S)-dodecylsulfinyl]propan-2-ol?
The IUPAC name of (2R)-1-[(S)-dodecylsulfinyl]propan-2-ol (CID 98534105) is (2R)-1-[(S)-dodecylsulfinyl]propan-2-ol.
What is the SMILES notation for (2R)-1-[(S)-dodecylsulfinyl]propan-2-ol?
The canonical SMILES for (2R)-1-[(S)-dodecylsulfinyl]propan-2-ol is CCCCCCCCCCCC[S@](=O)C[C@@H](C)O.
What is the InChIKey of (2R)-1-[(S)-dodecylsulfinyl]propan-2-ol?
The InChIKey is MKMIQRZGJOVVSO-QAPCUYQASA-N. The full InChI is InChI=1S/C15H32O2S/c1-3-4-5-6-7-8-9-10-11-12-13-18(17)14-15(2)16/h15-16H,3-14H2,1-2H3/t15-,18+/m1/s1.
What are the key properties of (2R)-1-[(S)-dodecylsulfinyl]propan-2-ol?
(2R)-1-[(S)-dodecylsulfinyl]propan-2-ol has a molecular weight of 276.49 g/mol, XLogP of 4.04, 13 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for (2R)-1-[(S)-dodecylsulfinyl]propan-2-ol is sourced from PubChem (CID 98534105), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).