1-[2-hydroxy-1-(2-hydroxyethoxy)ethyl]cyclohexane-1,4-diol

C10H20O5 — CID 68529032

IUPAC1-[2-hydroxy-1-(2-hydroxyethoxy)ethyl]cyclohexane-1,4-diol
SMILESOCCOC(CO)C1(O)CCC(O)CC1
InChIInChI=1S/C10H20O5/c11-5-6-15-9(7-12)10(14)3-1-8(13)2-4-10/h8-9,11-14H,1-7H2
InChIKeySFKYXRYKEWUZBY-UHFFFAOYSA-N
MW220.26 g/mol
LogP-0.98
Rot. Bonds5

About 1-[2-hydroxy-1-(2-hydroxyethoxy)ethyl]cyclohexane-1,4-diol

1-[2-hydroxy-1-(2-hydroxyethoxy)ethyl]cyclohexane-1,4-diol (PubChem CID 68529032) has the molecular formula C10H20O5 and a molecular weight of 220.26 g/mol. Its IUPAC name is 1-[2-hydroxy-1-(2-hydroxyethoxy)ethyl]cyclohexane-1,4-diol.

Molecular Properties

Compound Name1-[2-hydroxy-1-(2-hydroxyethoxy)ethyl]cyclohexane-1,4-diol
PubChem CID68529032
Molecular FormulaC10H20O5
Molecular Weight220.26 g/mol
Exact Mass220.13
IUPAC Name1-[2-hydroxy-1-(2-hydroxyethoxy)ethyl]cyclohexane-1,4-diol
SMILESOCCOC(CO)C1(O)CCC(O)CC1
InChIInChI=1S/C10H20O5/c11-5-6-15-9(7-12)10(14)3-1-8(13)2-4-10/h8-9,11-14H,1-7H2
InChIKeySFKYXRYKEWUZBY-UHFFFAOYSA-N
XLogP-0.98
TPSA90.15 Ų
H-Bond Donors4
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500220.26
LogP ≤ 5-0.98
H-Bond Donors ≤ 54
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of 1-[2-hydroxy-1-(2-hydroxyethoxy)ethyl]cyclohexane-1,4-diol?
The IUPAC name of 1-[2-hydroxy-1-(2-hydroxyethoxy)ethyl]cyclohexane-1,4-diol (CID 68529032) is 1-[2-hydroxy-1-(2-hydroxyethoxy)ethyl]cyclohexane-1,4-diol.
What is the SMILES notation for 1-[2-hydroxy-1-(2-hydroxyethoxy)ethyl]cyclohexane-1,4-diol?
The canonical SMILES for 1-[2-hydroxy-1-(2-hydroxyethoxy)ethyl]cyclohexane-1,4-diol is OCCOC(CO)C1(O)CCC(O)CC1.
What is the InChIKey of 1-[2-hydroxy-1-(2-hydroxyethoxy)ethyl]cyclohexane-1,4-diol?
The InChIKey is SFKYXRYKEWUZBY-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H20O5/c11-5-6-15-9(7-12)10(14)3-1-8(13)2-4-10/h8-9,11-14H,1-7H2.
What are the key properties of 1-[2-hydroxy-1-(2-hydroxyethoxy)ethyl]cyclohexane-1,4-diol?
1-[2-hydroxy-1-(2-hydroxyethoxy)ethyl]cyclohexane-1,4-diol has a molecular weight of 220.26 g/mol, XLogP of -0.98, 5 rotatable bonds, 4 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[2-hydroxy-1-(2-hydroxyethoxy)ethyl]cyclohexane-1,4-diol is sourced from PubChem (CID 68529032), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).