1-(oxan-4-yl)ethane-1,2-diol

C7H14O3 — CID 70403039

IUPAC1-(oxan-4-yl)ethane-1,2-diol
SMILESOCC(O)C1CCOCC1
InChIInChI=1S/C7H14O3/c8-5-7(9)6-1-3-10-4-2-6/h6-9H,1-5H2
InChIKeyAQEROXXQSDAJCU-UHFFFAOYSA-N
MW146.19 g/mol
LogP-0.23
Rot. Bonds2

About 1-(oxan-4-yl)ethane-1,2-diol

1-(oxan-4-yl)ethane-1,2-diol (PubChem CID 70403039) has the molecular formula C7H14O3 and a molecular weight of 146.19 g/mol. Its IUPAC name is 1-(oxan-4-yl)ethane-1,2-diol.

Molecular Properties

Compound Name1-(oxan-4-yl)ethane-1,2-diol
PubChem CID70403039
Molecular FormulaC7H14O3
Molecular Weight146.19 g/mol
Exact Mass146.09
IUPAC Name1-(oxan-4-yl)ethane-1,2-diol
SMILESOCC(O)C1CCOCC1
InChIInChI=1S/C7H14O3/c8-5-7(9)6-1-3-10-4-2-6/h6-9H,1-5H2
InChIKeyAQEROXXQSDAJCU-UHFFFAOYSA-N
XLogP-0.23
TPSA49.69 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms10
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500146.19
LogP ≤ 5-0.23
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 1-(oxan-4-yl)ethane-1,2-diol?
The IUPAC name of 1-(oxan-4-yl)ethane-1,2-diol (CID 70403039) is 1-(oxan-4-yl)ethane-1,2-diol.
What is the SMILES notation for 1-(oxan-4-yl)ethane-1,2-diol?
The canonical SMILES for 1-(oxan-4-yl)ethane-1,2-diol is OCC(O)C1CCOCC1.
What is the InChIKey of 1-(oxan-4-yl)ethane-1,2-diol?
The InChIKey is AQEROXXQSDAJCU-UHFFFAOYSA-N. The full InChI is InChI=1S/C7H14O3/c8-5-7(9)6-1-3-10-4-2-6/h6-9H,1-5H2.
What are the key properties of 1-(oxan-4-yl)ethane-1,2-diol?
1-(oxan-4-yl)ethane-1,2-diol has a molecular weight of 146.19 g/mol, XLogP of -0.23, 2 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(oxan-4-yl)ethane-1,2-diol is sourced from PubChem (CID 70403039), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).