1-(3-hydroxy-4-methyloxolan-2-yl)ethane-1,2-diol

C7H14O4 — CID 22967114

IUPAC1-(3-hydroxy-4-methyloxolan-2-yl)ethane-1,2-diol
SMILESCC1COC(C(O)CO)C1O
InChIInChI=1S/C7H14O4/c1-4-3-11-7(6(4)10)5(9)2-8/h4-10H,2-3H2,1H3
InChIKeyYOTPAOQXDABEJQ-UHFFFAOYSA-N
MW162.18 g/mol
LogP-1.26
Rot. Bonds2

About 1-(3-hydroxy-4-methyloxolan-2-yl)ethane-1,2-diol

1-(3-hydroxy-4-methyloxolan-2-yl)ethane-1,2-diol (PubChem CID 22967114) has the molecular formula C7H14O4 and a molecular weight of 162.18 g/mol. Its IUPAC name is 1-(3-hydroxy-4-methyloxolan-2-yl)ethane-1,2-diol.

Molecular Properties

Compound Name1-(3-hydroxy-4-methyloxolan-2-yl)ethane-1,2-diol
PubChem CID22967114
Molecular FormulaC7H14O4
Molecular Weight162.18 g/mol
Exact Mass162.09
IUPAC Name1-(3-hydroxy-4-methyloxolan-2-yl)ethane-1,2-diol
SMILESCC1COC(C(O)CO)C1O
InChIInChI=1S/C7H14O4/c1-4-3-11-7(6(4)10)5(9)2-8/h4-10H,2-3H2,1H3
InChIKeyYOTPAOQXDABEJQ-UHFFFAOYSA-N
XLogP-1.26
TPSA69.92 Ų
H-Bond Donors3
H-Bond Acceptors4
Rotatable Bonds2
Heavy Atoms11
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500162.18
LogP ≤ 5-1.26
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 1-(3-hydroxy-4-methyloxolan-2-yl)ethane-1,2-diol?
The IUPAC name of 1-(3-hydroxy-4-methyloxolan-2-yl)ethane-1,2-diol (CID 22967114) is 1-(3-hydroxy-4-methyloxolan-2-yl)ethane-1,2-diol.
What is the SMILES notation for 1-(3-hydroxy-4-methyloxolan-2-yl)ethane-1,2-diol?
The canonical SMILES for 1-(3-hydroxy-4-methyloxolan-2-yl)ethane-1,2-diol is CC1COC(C(O)CO)C1O.
What is the InChIKey of 1-(3-hydroxy-4-methyloxolan-2-yl)ethane-1,2-diol?
The InChIKey is YOTPAOQXDABEJQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C7H14O4/c1-4-3-11-7(6(4)10)5(9)2-8/h4-10H,2-3H2,1H3.
What are the key properties of 1-(3-hydroxy-4-methyloxolan-2-yl)ethane-1,2-diol?
1-(3-hydroxy-4-methyloxolan-2-yl)ethane-1,2-diol has a molecular weight of 162.18 g/mol, XLogP of -1.26, 2 rotatable bonds, 3 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(3-hydroxy-4-methyloxolan-2-yl)ethane-1,2-diol is sourced from PubChem (CID 22967114), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).