2-(2-cycloheptyloxyethylsulfonyl)ethanol

C11H22O4S — CID 71857018

IUPAC2-(2-cycloheptyloxyethylsulfonyl)ethanol
SMILESO=S(=O)(CCO)CCOC1CCCCCC1
InChIInChI=1S/C11H22O4S/c12-7-9-16(13,14)10-8-15-11-5-3-1-2-4-6-11/h11-12H,1-10H2
InChIKeyWBKWXKNTEFGUQJ-UHFFFAOYSA-N
MW250.36 g/mol
LogP1.13
Rot. Bonds6

About 2-(2-cycloheptyloxyethylsulfonyl)ethanol

2-(2-cycloheptyloxyethylsulfonyl)ethanol (PubChem CID 71857018) has the molecular formula C11H22O4S and a molecular weight of 250.36 g/mol. Its IUPAC name is 2-(2-cycloheptyloxyethylsulfonyl)ethanol.

Molecular Properties

Compound Name2-(2-cycloheptyloxyethylsulfonyl)ethanol
PubChem CID71857018
Molecular FormulaC11H22O4S
Molecular Weight250.36 g/mol
Exact Mass250.12
IUPAC Name2-(2-cycloheptyloxyethylsulfonyl)ethanol
SMILESO=S(=O)(CCO)CCOC1CCCCCC1
InChIInChI=1S/C11H22O4S/c12-7-9-16(13,14)10-8-15-11-5-3-1-2-4-6-11/h11-12H,1-10H2
InChIKeyWBKWXKNTEFGUQJ-UHFFFAOYSA-N
XLogP1.13
TPSA63.60 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500250.36
LogP ≤ 51.13
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

2-cyclopentyloxyethanol;ethane;methanamine
CID 144529135
8-cycloheptyloxyoctoxycycloheptane
CID 173292672
bis(2-cyclohexyloxyethyl) carbonate
CID 139670101
2-(2-cycloheptyloxyethyl)-1-ethyl-3-(2-ethylsulfonylethyl)guanidine;hydroiodide
CID 111576436
2-[2-(2-hydroxyethoxy)ethoxy]ethanol;propoxycyclohexane
CID 118647955
cyclohexane;octan-1-ol;octoxycyclohexane
CID 157453756
butoxycyclopentane;ethane-1,2-diol
CID 174670164
methyl 4-(2-propylsulfonylethoxy)cyclohexane-1-carboxylate
CID 106721827
2-amino-N-(2-cyclohexyloxyethyl)ethanesulfonamide
CID 63827888
propoxycyclooctane
CID 54078990
3-cyclopentyloxypropanoic acid
CID 24706641
4-(2-cyclohexyloxyethylsulfamoyl)butanoic acid
CID 63826618

Frequently Asked Questions

What is the IUPAC name of 2-(2-cycloheptyloxyethylsulfonyl)ethanol?
The IUPAC name of 2-(2-cycloheptyloxyethylsulfonyl)ethanol (CID 71857018) is 2-(2-cycloheptyloxyethylsulfonyl)ethanol.
What is the SMILES notation for 2-(2-cycloheptyloxyethylsulfonyl)ethanol?
The canonical SMILES for 2-(2-cycloheptyloxyethylsulfonyl)ethanol is O=S(=O)(CCO)CCOC1CCCCCC1.
What is the InChIKey of 2-(2-cycloheptyloxyethylsulfonyl)ethanol?
The InChIKey is WBKWXKNTEFGUQJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H22O4S/c12-7-9-16(13,14)10-8-15-11-5-3-1-2-4-6-11/h11-12H,1-10H2.
What are the key properties of 2-(2-cycloheptyloxyethylsulfonyl)ethanol?
2-(2-cycloheptyloxyethylsulfonyl)ethanol has a molecular weight of 250.36 g/mol, XLogP of 1.13, 6 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(2-cycloheptyloxyethylsulfonyl)ethanol is sourced from PubChem (CID 71857018), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).