2-cyclohexylethyl 2-hydroxyacetate

C10H18O3 — CID 67340221

IUPAC2-cyclohexylethyl 2-hydroxyacetate
SMILESO=C(CO)OCCC1CCCCC1
InChIInChI=1S/C10H18O3/c11-8-10(12)13-7-6-9-4-2-1-3-5-9/h9,11H,1-8H2
InChIKeyOCGBTESGWIBHCB-UHFFFAOYSA-N
MW186.25 g/mol
LogP1.49
Rot. Bonds4

About 2-cyclohexylethyl 2-hydroxyacetate

2-cyclohexylethyl 2-hydroxyacetate (PubChem CID 67340221) has the molecular formula C10H18O3 and a molecular weight of 186.25 g/mol. Its IUPAC name is 2-cyclohexylethyl 2-hydroxyacetate.

Molecular Properties

Compound Name2-cyclohexylethyl 2-hydroxyacetate
PubChem CID67340221
Molecular FormulaC10H18O3
Molecular Weight186.25 g/mol
Exact Mass186.13
IUPAC Name2-cyclohexylethyl 2-hydroxyacetate
SMILESO=C(CO)OCCC1CCCCC1
InChIInChI=1S/C10H18O3/c11-8-10(12)13-7-6-9-4-2-1-3-5-9/h9,11H,1-8H2
InChIKeyOCGBTESGWIBHCB-UHFFFAOYSA-N
XLogP1.49
TPSA46.53 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500186.25
LogP ≤ 51.49
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

2-cyclohexylethyl 2-aminoacetate
CID 54016535
bis(2-cyclopentylethyl) propanedioate
CID 67140627
2-cyclohexylethyl carbonochloridate
CID 19994353
2-cyclopentylethyl butanoate
CID 142409115
dodecylcyclobutane;2-(2-hydroxyacetyl)oxyethyl 2-hydroxyacetate
CID 173106750
2-cyclobutylethyl 2-sulfanylacetate
CID 106208012
6-O-(2-cyclohexylethyl) 1-O-propyl hexanedioate
CID 91725827
1-O-(2-cyclohexylethyl) 4-O-(2-methylpropyl) butanedioate
CID 91704743
2-cyclohexylethyl nitrate
CID 57206910
2-cyclopentylethyl methyl carbonate
CID 66771150
2-cyclohexylethyl N-(2,2,2-trifluoroethyl)carbamate
CID 70951802
2-cyclohexylethyl 2-iodopropanoate
CID 155660085

Frequently Asked Questions

What is the IUPAC name of 2-cyclohexylethyl 2-hydroxyacetate?
The IUPAC name of 2-cyclohexylethyl 2-hydroxyacetate (CID 67340221) is 2-cyclohexylethyl 2-hydroxyacetate.
What is the SMILES notation for 2-cyclohexylethyl 2-hydroxyacetate?
The canonical SMILES for 2-cyclohexylethyl 2-hydroxyacetate is O=C(CO)OCCC1CCCCC1.
What is the InChIKey of 2-cyclohexylethyl 2-hydroxyacetate?
The InChIKey is OCGBTESGWIBHCB-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H18O3/c11-8-10(12)13-7-6-9-4-2-1-3-5-9/h9,11H,1-8H2.
What are the key properties of 2-cyclohexylethyl 2-hydroxyacetate?
2-cyclohexylethyl 2-hydroxyacetate has a molecular weight of 186.25 g/mol, XLogP of 1.49, 4 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-cyclohexylethyl 2-hydroxyacetate is sourced from PubChem (CID 67340221), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).