1-chloro-3-dodecylsulfinylpropan-2-ol

C15H31ClO2S — CID 42648089

IUPAC1-chloro-3-dodecylsulfinylpropan-2-ol
SMILESCCCCCCCCCCCCS(=O)CC(O)CCl
InChIInChI=1S/C15H31ClO2S/c1-2-3-4-5-6-7-8-9-10-11-12-19(18)14-15(17)13-16/h15,17H,2-14H2,1H3
InChIKeyJUTNQOYEGCJPJS-UHFFFAOYSA-N
MW310.93 g/mol
LogP4.26
Rot. Bonds14

About 1-chloro-3-dodecylsulfinylpropan-2-ol

1-chloro-3-dodecylsulfinylpropan-2-ol (PubChem CID 42648089) has the molecular formula C15H31ClO2S and a molecular weight of 310.93 g/mol. Its IUPAC name is 1-chloro-3-dodecylsulfinylpropan-2-ol.

Molecular Properties

Compound Name1-chloro-3-dodecylsulfinylpropan-2-ol
PubChem CID42648089
Molecular FormulaC15H31ClO2S
Molecular Weight310.93 g/mol
Exact Mass310.17
IUPAC Name1-chloro-3-dodecylsulfinylpropan-2-ol
SMILESCCCCCCCCCCCCS(=O)CC(O)CCl
InChIInChI=1S/C15H31ClO2S/c1-2-3-4-5-6-7-8-9-10-11-12-19(18)14-15(17)13-16/h15,17H,2-14H2,1H3
InChIKeyJUTNQOYEGCJPJS-UHFFFAOYSA-N
XLogP4.26
TPSA37.30 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds14
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500310.93
LogP ≤ 54.26
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of 1-chloro-3-dodecylsulfinylpropan-2-ol?
The IUPAC name of 1-chloro-3-dodecylsulfinylpropan-2-ol (CID 42648089) is 1-chloro-3-dodecylsulfinylpropan-2-ol.
What is the SMILES notation for 1-chloro-3-dodecylsulfinylpropan-2-ol?
The canonical SMILES for 1-chloro-3-dodecylsulfinylpropan-2-ol is CCCCCCCCCCCCS(=O)CC(O)CCl.
What is the InChIKey of 1-chloro-3-dodecylsulfinylpropan-2-ol?
The InChIKey is JUTNQOYEGCJPJS-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H31ClO2S/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 1-chloro-3-dodecylsulfinylpropan-2-ol?
1-chloro-3-dodecylsulfinylpropan-2-ol has a molecular weight of 310.93 g/mol, XLogP of 4.26, 14 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1-chloro-3-dodecylsulfinylpropan-2-ol is sourced from PubChem (CID 42648089), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).