3-(2-hydroxyethyl)-2,2-bis(hydroxymethyl)pentane-1,5-diol

C9H20O5 — CID 25203967

IUPAC3-(2-hydroxyethyl)-2,2-bis(hydroxymethyl)pentane-1,5-diol
SMILESOCCC(CCO)C(CO)(CO)CO
InChIInChI=1S/C9H20O5/c10-3-1-8(2-4-11)9(5-12,6-13)7-14/h8,10-14H,1-7H2
InChIKeySBDIPIUGTYTDCJ-UHFFFAOYSA-N
MW208.25 g/mol
LogP-1.67
Rot. Bonds8

About 3-(2-hydroxyethyl)-2,2-bis(hydroxymethyl)pentane-1,5-diol

3-(2-hydroxyethyl)-2,2-bis(hydroxymethyl)pentane-1,5-diol (PubChem CID 25203967) has the molecular formula C9H20O5 and a molecular weight of 208.25 g/mol. Its IUPAC name is 3-(2-hydroxyethyl)-2,2-bis(hydroxymethyl)pentane-1,5-diol.

Molecular Properties

Compound Name3-(2-hydroxyethyl)-2,2-bis(hydroxymethyl)pentane-1,5-diol
PubChem CID25203967
Molecular FormulaC9H20O5
Molecular Weight208.25 g/mol
Exact Mass208.13
IUPAC Name3-(2-hydroxyethyl)-2,2-bis(hydroxymethyl)pentane-1,5-diol
SMILESOCCC(CCO)C(CO)(CO)CO
InChIInChI=1S/C9H20O5/c10-3-1-8(2-4-11)9(5-12,6-13)7-14/h8,10-14H,1-7H2
InChIKeySBDIPIUGTYTDCJ-UHFFFAOYSA-N
XLogP-1.67
TPSA101.15 Ų
H-Bond Donors5
H-Bond Acceptors5
Rotatable Bonds8
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500208.25
LogP ≤ 5-1.67
H-Bond Donors ≤ 55
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of 3-(2-hydroxyethyl)-2,2-bis(hydroxymethyl)pentane-1,5-diol?
The IUPAC name of 3-(2-hydroxyethyl)-2,2-bis(hydroxymethyl)pentane-1,5-diol (CID 25203967) is 3-(2-hydroxyethyl)-2,2-bis(hydroxymethyl)pentane-1,5-diol.
What is the SMILES notation for 3-(2-hydroxyethyl)-2,2-bis(hydroxymethyl)pentane-1,5-diol?
The canonical SMILES for 3-(2-hydroxyethyl)-2,2-bis(hydroxymethyl)pentane-1,5-diol is OCCC(CCO)C(CO)(CO)CO.
What is the InChIKey of 3-(2-hydroxyethyl)-2,2-bis(hydroxymethyl)pentane-1,5-diol?
The InChIKey is SBDIPIUGTYTDCJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H20O5/c10-3-1-8(2-4-11)9(5-12,6-13)7-14/h8,10-14H,1-7H2.
What are the key properties of 3-(2-hydroxyethyl)-2,2-bis(hydroxymethyl)pentane-1,5-diol?
3-(2-hydroxyethyl)-2,2-bis(hydroxymethyl)pentane-1,5-diol has a molecular weight of 208.25 g/mol, XLogP of -1.67, 8 rotatable bonds, 5 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 3-(2-hydroxyethyl)-2,2-bis(hydroxymethyl)pentane-1,5-diol is sourced from PubChem (CID 25203967), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).