1-(3-hydroxyoxolan-2-yl)ethane-1,2-diol

C6H12O4 — CID 14057266

IUPAC1-(3-hydroxyoxolan-2-yl)ethane-1,2-diol
SMILESOCC(O)C1OCCC1O
InChIInChI=1S/C6H12O4/c7-3-5(9)6-4(8)1-2-10-6/h4-9H,1-3H2
InChIKeyKSZCKLUPODXWRM-UHFFFAOYSA-N
MW148.16 g/mol
LogP-1.51
Rot. Bonds2

About 1-(3-hydroxyoxolan-2-yl)ethane-1,2-diol

1-(3-hydroxyoxolan-2-yl)ethane-1,2-diol (PubChem CID 14057266) has the molecular formula C6H12O4 and a molecular weight of 148.16 g/mol. Its IUPAC name is 1-(3-hydroxyoxolan-2-yl)ethane-1,2-diol.

Molecular Properties

Compound Name1-(3-hydroxyoxolan-2-yl)ethane-1,2-diol
PubChem CID14057266
Molecular FormulaC6H12O4
Molecular Weight148.16 g/mol
Exact Mass148.07
IUPAC Name1-(3-hydroxyoxolan-2-yl)ethane-1,2-diol
SMILESOCC(O)C1OCCC1O
InChIInChI=1S/C6H12O4/c7-3-5(9)6-4(8)1-2-10-6/h4-9H,1-3H2
InChIKeyKSZCKLUPODXWRM-UHFFFAOYSA-N
XLogP-1.51
TPSA69.92 Ų
H-Bond Donors3
H-Bond Acceptors4
Rotatable Bonds2
Heavy Atoms10
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500148.16
LogP ≤ 5-1.51
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 1-(3-hydroxyoxolan-2-yl)ethane-1,2-diol?
The IUPAC name of 1-(3-hydroxyoxolan-2-yl)ethane-1,2-diol (CID 14057266) is 1-(3-hydroxyoxolan-2-yl)ethane-1,2-diol.
What is the SMILES notation for 1-(3-hydroxyoxolan-2-yl)ethane-1,2-diol?
The canonical SMILES for 1-(3-hydroxyoxolan-2-yl)ethane-1,2-diol is OCC(O)C1OCCC1O.
What is the InChIKey of 1-(3-hydroxyoxolan-2-yl)ethane-1,2-diol?
The InChIKey is KSZCKLUPODXWRM-UHFFFAOYSA-N. The full InChI is InChI=1S/C6H12O4/c7-3-5(9)6-4(8)1-2-10-6/h4-9H,1-3H2.
What are the key properties of 1-(3-hydroxyoxolan-2-yl)ethane-1,2-diol?
1-(3-hydroxyoxolan-2-yl)ethane-1,2-diol has a molecular weight of 148.16 g/mol, XLogP of -1.51, 2 rotatable bonds, 3 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(3-hydroxyoxolan-2-yl)ethane-1,2-diol is sourced from PubChem (CID 14057266), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).