5-(2-hydroxyethoxy)-2,2-bis(hydroxymethyl)hexane-1,6-diol

C10H22O6 — CID 20523698

IUPAC5-(2-hydroxyethoxy)-2,2-bis(hydroxymethyl)hexane-1,6-diol
SMILESOCCOC(CO)CCC(CO)(CO)CO
InChIInChI=1S/C10H22O6/c11-3-4-16-9(5-12)1-2-10(6-13,7-14)8-15/h9,11-15H,1-8H2
InChIKeyNENQRXOUWGBPBU-UHFFFAOYSA-N
MW238.28 g/mol
LogP-1.90
Rot. Bonds10

About 5-(2-hydroxyethoxy)-2,2-bis(hydroxymethyl)hexane-1,6-diol

5-(2-hydroxyethoxy)-2,2-bis(hydroxymethyl)hexane-1,6-diol (PubChem CID 20523698) has the molecular formula C10H22O6 and a molecular weight of 238.28 g/mol. Its IUPAC name is 5-(2-hydroxyethoxy)-2,2-bis(hydroxymethyl)hexane-1,6-diol.

Molecular Properties

Compound Name5-(2-hydroxyethoxy)-2,2-bis(hydroxymethyl)hexane-1,6-diol
PubChem CID20523698
Molecular FormulaC10H22O6
Molecular Weight238.28 g/mol
Exact Mass238.14
IUPAC Name5-(2-hydroxyethoxy)-2,2-bis(hydroxymethyl)hexane-1,6-diol
SMILESOCCOC(CO)CCC(CO)(CO)CO
InChIInChI=1S/C10H22O6/c11-3-4-16-9(5-12)1-2-10(6-13,7-14)8-15/h9,11-15H,1-8H2
InChIKeyNENQRXOUWGBPBU-UHFFFAOYSA-N
XLogP-1.90
TPSA110.38 Ų
H-Bond Donors5
H-Bond Acceptors6
Rotatable Bonds10
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500238.28
LogP ≤ 5-1.90
H-Bond Donors ≤ 55
H-Bond Acceptors ≤ 106

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Frequently Asked Questions

What is the IUPAC name of 5-(2-hydroxyethoxy)-2,2-bis(hydroxymethyl)hexane-1,6-diol?
The IUPAC name of 5-(2-hydroxyethoxy)-2,2-bis(hydroxymethyl)hexane-1,6-diol (CID 20523698) is 5-(2-hydroxyethoxy)-2,2-bis(hydroxymethyl)hexane-1,6-diol.
What is the SMILES notation for 5-(2-hydroxyethoxy)-2,2-bis(hydroxymethyl)hexane-1,6-diol?
The canonical SMILES for 5-(2-hydroxyethoxy)-2,2-bis(hydroxymethyl)hexane-1,6-diol is OCCOC(CO)CCC(CO)(CO)CO.
What is the InChIKey of 5-(2-hydroxyethoxy)-2,2-bis(hydroxymethyl)hexane-1,6-diol?
The InChIKey is NENQRXOUWGBPBU-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H22O6/c11-3-4-16-9(5-12)1-2-10(6-13,7-14)8-15/h9,11-15H,1-8H2.
What are the key properties of 5-(2-hydroxyethoxy)-2,2-bis(hydroxymethyl)hexane-1,6-diol?
5-(2-hydroxyethoxy)-2,2-bis(hydroxymethyl)hexane-1,6-diol has a molecular weight of 238.28 g/mol, XLogP of -1.90, 10 rotatable bonds, 5 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 5-(2-hydroxyethoxy)-2,2-bis(hydroxymethyl)hexane-1,6-diol is sourced from PubChem (CID 20523698), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).