2-ethyl-1-(3-ethylsulfonylpropyl)cyclohexan-1-ol

C13H26O3S — CID 65149543

IUPAC2-ethyl-1-(3-ethylsulfonylpropyl)cyclohexan-1-ol
SMILESCCC1CCCCC1(O)CCCS(=O)(=O)CC
InChIInChI=1S/C13H26O3S/c1-3-12-8-5-6-9-13(12,14)10-7-11-17(15,16)4-2/h12,14H,3-11H2,1-2H3
InChIKeyGQTPAWBEZZAXTD-UHFFFAOYSA-N
MW262.41 g/mol
LogP2.53
Rot. Bonds6

About 2-ethyl-1-(3-ethylsulfonylpropyl)cyclohexan-1-ol

2-ethyl-1-(3-ethylsulfonylpropyl)cyclohexan-1-ol (PubChem CID 65149543) has the molecular formula C13H26O3S and a molecular weight of 262.41 g/mol. Its IUPAC name is 2-ethyl-1-(3-ethylsulfonylpropyl)cyclohexan-1-ol.

Molecular Properties

Compound Name2-ethyl-1-(3-ethylsulfonylpropyl)cyclohexan-1-ol
PubChem CID65149543
Molecular FormulaC13H26O3S
Molecular Weight262.41 g/mol
Exact Mass262.16
IUPAC Name2-ethyl-1-(3-ethylsulfonylpropyl)cyclohexan-1-ol
SMILESCCC1CCCCC1(O)CCCS(=O)(=O)CC
InChIInChI=1S/C13H26O3S/c1-3-12-8-5-6-9-13(12,14)10-7-11-17(15,16)4-2/h12,14H,3-11H2,1-2H3
InChIKeyGQTPAWBEZZAXTD-UHFFFAOYSA-N
XLogP2.53
TPSA54.37 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500262.41
LogP ≤ 52.53
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 2-ethyl-1-(3-ethylsulfonylpropyl)cyclohexan-1-ol?
The IUPAC name of 2-ethyl-1-(3-ethylsulfonylpropyl)cyclohexan-1-ol (CID 65149543) is 2-ethyl-1-(3-ethylsulfonylpropyl)cyclohexan-1-ol.
What is the SMILES notation for 2-ethyl-1-(3-ethylsulfonylpropyl)cyclohexan-1-ol?
The canonical SMILES for 2-ethyl-1-(3-ethylsulfonylpropyl)cyclohexan-1-ol is CCC1CCCCC1(O)CCCS(=O)(=O)CC.
What is the InChIKey of 2-ethyl-1-(3-ethylsulfonylpropyl)cyclohexan-1-ol?
The InChIKey is GQTPAWBEZZAXTD-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H26O3S/c1-3-12-8-5-6-9-13(12,14)10-7-11-17(15,16)4-2/h12,14H,3-11H2,1-2H3.
What are the key properties of 2-ethyl-1-(3-ethylsulfonylpropyl)cyclohexan-1-ol?
2-ethyl-1-(3-ethylsulfonylpropyl)cyclohexan-1-ol has a molecular weight of 262.41 g/mol, XLogP of 2.53, 6 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-ethyl-1-(3-ethylsulfonylpropyl)cyclohexan-1-ol is sourced from PubChem (CID 65149543), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).