4-ethylsulfanyl-4-ethylsulfinyl-2-methylhexan-3-ol

C11H24O2S2 — CID 121223299

IUPAC4-ethylsulfanyl-4-ethylsulfinyl-2-methylhexan-3-ol
SMILESCCSC(CC)(C(O)C(C)C)S(=O)CC
InChIInChI=1S/C11H24O2S2/c1-6-11(14-7-2,15(13)8-3)10(12)9(4)5/h9-10,12H,6-8H2,1-5H3
InChIKeyZPZWWLCQBOXMAQ-UHFFFAOYSA-N
MW252.44 g/mol
LogP2.63
Rot. Bonds7

About 4-ethylsulfanyl-4-ethylsulfinyl-2-methylhexan-3-ol

4-ethylsulfanyl-4-ethylsulfinyl-2-methylhexan-3-ol (PubChem CID 121223299) has the molecular formula C11H24O2S2 and a molecular weight of 252.44 g/mol. Its IUPAC name is 4-ethylsulfanyl-4-ethylsulfinyl-2-methylhexan-3-ol.

Molecular Properties

Compound Name4-ethylsulfanyl-4-ethylsulfinyl-2-methylhexan-3-ol
PubChem CID121223299
Molecular FormulaC11H24O2S2
Molecular Weight252.44 g/mol
Exact Mass252.12
IUPAC Name4-ethylsulfanyl-4-ethylsulfinyl-2-methylhexan-3-ol
SMILESCCSC(CC)(C(O)C(C)C)S(=O)CC
InChIInChI=1S/C11H24O2S2/c1-6-11(14-7-2,15(13)8-3)10(12)9(4)5/h9-10,12H,6-8H2,1-5H3
InChIKeyZPZWWLCQBOXMAQ-UHFFFAOYSA-N
XLogP2.63
TPSA37.30 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds7
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500252.44
LogP ≤ 52.63
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

(3R,4R)-4-tert-butylsulfinyl-2,4-dimethylhexan-3-ol
CID 121001666
3-ethylsulfanyl-3-ethylsulfinylheptane
CID 121219388
2-ethyl-2-ethylsulfanylbutan-1-ol
CID 130690226
2-butyl-2-ethyl-4-methylpentane-1,3-diol
CID 19375182
sodium ethanesulfinic acid
CID 19960758
propan-2-ol;sulfur trioxide
CID 174853571
2,2,3,5,5-pentamethylheptan-4-ol
CID 156689812
2-methylbutan-2-ol;3-methylbutan-2-ol
CID 87324664
butane-2-sulfinic acid
CID 12672761
2-(diethylamino)-2,4-dimethylpentan-3-ol
CID 79053951
3,3-diethyl-6-methyloctan-4-ol
CID 156689721
ethyl (3R)-3-hydroxy-2,2,4-trimethylpentanoate
CID 3246222

Frequently Asked Questions

What is the IUPAC name of 4-ethylsulfanyl-4-ethylsulfinyl-2-methylhexan-3-ol?
The IUPAC name of 4-ethylsulfanyl-4-ethylsulfinyl-2-methylhexan-3-ol (CID 121223299) is 4-ethylsulfanyl-4-ethylsulfinyl-2-methylhexan-3-ol.
What is the SMILES notation for 4-ethylsulfanyl-4-ethylsulfinyl-2-methylhexan-3-ol?
The canonical SMILES for 4-ethylsulfanyl-4-ethylsulfinyl-2-methylhexan-3-ol is CCSC(CC)(C(O)C(C)C)S(=O)CC.
What is the InChIKey of 4-ethylsulfanyl-4-ethylsulfinyl-2-methylhexan-3-ol?
The InChIKey is ZPZWWLCQBOXMAQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H24O2S2/c1-6-11(14-7-2,15(13)8-3)10(12)9(4)5/h9-10,12H,6-8H2,1-5H3.
What are the key properties of 4-ethylsulfanyl-4-ethylsulfinyl-2-methylhexan-3-ol?
4-ethylsulfanyl-4-ethylsulfinyl-2-methylhexan-3-ol has a molecular weight of 252.44 g/mol, XLogP of 2.63, 7 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 4-ethylsulfanyl-4-ethylsulfinyl-2-methylhexan-3-ol is sourced from PubChem (CID 121223299), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).