3-(2-ethyl-3,4,5,6-tetramethylphenyl)sulfinyl-2,2-dimethylpropan-1-ol

C17H28O2S — CID 18719693

IUPAC3-(2-ethyl-3,4,5,6-tetramethylphenyl)sulfinyl-2,2-dimethylpropan-1-ol
SMILESCCc1c(C)c(C)c(C)c(C)c1S(=O)CC(C)(C)CO
InChIInChI=1S/C17H28O2S/c1-8-15-13(4)11(2)12(3)14(5)16(15)20(19)10-17(6,7)9-18/h18H,8-10H2,1-7H3
InChIKeyGBKIGGJLDAJZMO-UHFFFAOYSA-N
MW296.48 g/mol
LogP3.61
Rot. Bonds5

About 3-(2-ethyl-3,4,5,6-tetramethylphenyl)sulfinyl-2,2-dimethylpropan-1-ol

3-(2-ethyl-3,4,5,6-tetramethylphenyl)sulfinyl-2,2-dimethylpropan-1-ol (PubChem CID 18719693) has the molecular formula C17H28O2S and a molecular weight of 296.48 g/mol. Its IUPAC name is 3-(2-ethyl-3,4,5,6-tetramethylphenyl)sulfinyl-2,2-dimethylpropan-1-ol.

Molecular Properties

Compound Name3-(2-ethyl-3,4,5,6-tetramethylphenyl)sulfinyl-2,2-dimethylpropan-1-ol
PubChem CID18719693
Molecular FormulaC17H28O2S
Molecular Weight296.48 g/mol
Exact Mass296.18
IUPAC Name3-(2-ethyl-3,4,5,6-tetramethylphenyl)sulfinyl-2,2-dimethylpropan-1-ol
SMILESCCc1c(C)c(C)c(C)c(C)c1S(=O)CC(C)(C)CO
InChIInChI=1S/C17H28O2S/c1-8-15-13(4)11(2)12(3)14(5)16(15)20(19)10-17(6,7)9-18/h18H,8-10H2,1-7H3
InChIKeyGBKIGGJLDAJZMO-UHFFFAOYSA-N
XLogP3.61
TPSA37.30 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds5
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500296.48
LogP ≤ 53.61
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of 3-(2-ethyl-3,4,5,6-tetramethylphenyl)sulfinyl-2,2-dimethylpropan-1-ol?
The IUPAC name of 3-(2-ethyl-3,4,5,6-tetramethylphenyl)sulfinyl-2,2-dimethylpropan-1-ol (CID 18719693) is 3-(2-ethyl-3,4,5,6-tetramethylphenyl)sulfinyl-2,2-dimethylpropan-1-ol.
What is the SMILES notation for 3-(2-ethyl-3,4,5,6-tetramethylphenyl)sulfinyl-2,2-dimethylpropan-1-ol?
The canonical SMILES for 3-(2-ethyl-3,4,5,6-tetramethylphenyl)sulfinyl-2,2-dimethylpropan-1-ol is CCc1c(C)c(C)c(C)c(C)c1S(=O)CC(C)(C)CO.
What is the InChIKey of 3-(2-ethyl-3,4,5,6-tetramethylphenyl)sulfinyl-2,2-dimethylpropan-1-ol?
The InChIKey is GBKIGGJLDAJZMO-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H28O2S/c1-8-15-13(4)11(2)12(3)14(5)16(15)20(19)10-17(6,7)9-18/h18H,8-10H2,1-7H3.
What are the key properties of 3-(2-ethyl-3,4,5,6-tetramethylphenyl)sulfinyl-2,2-dimethylpropan-1-ol?
3-(2-ethyl-3,4,5,6-tetramethylphenyl)sulfinyl-2,2-dimethylpropan-1-ol has a molecular weight of 296.48 g/mol, XLogP of 3.61, 5 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 3-(2-ethyl-3,4,5,6-tetramethylphenyl)sulfinyl-2,2-dimethylpropan-1-ol is sourced from PubChem (CID 18719693), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).