2-ethylhexyl 4-methylbenzenesulfinate

C15H24O2S — CID 132580944

IUPAC2-ethylhexyl 4-methylbenzenesulfinate
SMILESCCCCC(CC)COS(=O)c1ccc(C)cc1
InChIInChI=1S/C15H24O2S/c1-4-6-7-14(5-2)12-17-18(16)15-10-8-13(3)9-11-15/h8-11,14H,4-7,12H2,1-3H3
InChIKeyJCXKWAUYKJSNOO-UHFFFAOYSA-N
MW268.42 g/mol
LogP4.25
Rot. Bonds8

About 2-ethylhexyl 4-methylbenzenesulfinate

2-ethylhexyl 4-methylbenzenesulfinate (PubChem CID 132580944) has the molecular formula C15H24O2S and a molecular weight of 268.42 g/mol. Its IUPAC name is 2-ethylhexyl 4-methylbenzenesulfinate.

Molecular Properties

Compound Name2-ethylhexyl 4-methylbenzenesulfinate
PubChem CID132580944
Molecular FormulaC15H24O2S
Molecular Weight268.42 g/mol
Exact Mass268.15
IUPAC Name2-ethylhexyl 4-methylbenzenesulfinate
SMILESCCCCC(CC)COS(=O)c1ccc(C)cc1
InChIInChI=1S/C15H24O2S/c1-4-6-7-14(5-2)12-17-18(16)15-10-8-13(3)9-11-15/h8-11,14H,4-7,12H2,1-3H3
InChIKeyJCXKWAUYKJSNOO-UHFFFAOYSA-N
XLogP4.25
TPSA26.30 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds8
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500268.42
LogP ≤ 54.25
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

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Related Compounds

potassium 2-ethylhexyl sulfite
CID 174977915
2-ethylhexyl sulfite;λ2-plumbane
CID 174562769
N-(2-ethylhexoxy)-N-(4-methylphenyl)formamide
CID 174572163
sodium;2-ethylhexyl sulfite;hydride
CID 174362905
ethane;1-(2-ethylhexoxy)-4-methylbenzene;prop-1-ene
CID 170619939
4-O,5-O-diethyl 1-O,2-O-bis(2-ethylhexyl) benzene-1,2,4,5-tetracarboxylate
CID 50905906
2-ethylhexyl-(4-methylphenoxy)-oxophosphanium
CID 58805921
1,4-bis[(2S)-2-ethylhexoxy]benzene
CID 67003802
2-(2-ethylhexoxy)-4-methylaniline
CID 63404064
1-phenylpropyl 4-methylbenzenesulfinate
CID 75274763
(3R)-3-[[(2R)-2-ethylhexoxy]methyl]heptane
CID 91827254
bis[(2S)-2-ethylhexyl] furan-2,5-dicarboxylate
CID 137368086

Frequently Asked Questions

What is the IUPAC name of 2-ethylhexyl 4-methylbenzenesulfinate?
The IUPAC name of 2-ethylhexyl 4-methylbenzenesulfinate (CID 132580944) is 2-ethylhexyl 4-methylbenzenesulfinate.
What is the SMILES notation for 2-ethylhexyl 4-methylbenzenesulfinate?
The canonical SMILES for 2-ethylhexyl 4-methylbenzenesulfinate is CCCCC(CC)COS(=O)c1ccc(C)cc1.
What is the InChIKey of 2-ethylhexyl 4-methylbenzenesulfinate?
The InChIKey is JCXKWAUYKJSNOO-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H24O2S/c1-4-6-7-14(5-2)12-17-18(16)15-10-8-13(3)9-11-15/h8-11,14H,4-7,12H2,1-3H3.
What are the key properties of 2-ethylhexyl 4-methylbenzenesulfinate?
2-ethylhexyl 4-methylbenzenesulfinate has a molecular weight of 268.42 g/mol, XLogP of 4.25, 8 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-ethylhexyl 4-methylbenzenesulfinate is sourced from PubChem (CID 132580944), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).