1-(oxolan-3-yl)ethanol

C6H12O2 — CID 59594973

IUPAC1-(oxolan-3-yl)ethanol
SMILESCC(O)C1CCOC1
InChIInChI=1S/C6H12O2/c1-5(7)6-2-3-8-4-6/h5-7H,2-4H2,1H3
InChIKeyARDSHQRPKXPELC-UHFFFAOYSA-N
MW116.16 g/mol
LogP0.40
Rot. Bonds1

About 1-(oxolan-3-yl)ethanol

1-(oxolan-3-yl)ethanol (PubChem CID 59594973) has the molecular formula C6H12O2 and a molecular weight of 116.16 g/mol. Its IUPAC name is 1-(oxolan-3-yl)ethanol.

Molecular Properties

Compound Name1-(oxolan-3-yl)ethanol
PubChem CID59594973
Molecular FormulaC6H12O2
Molecular Weight116.16 g/mol
Exact Mass116.08
IUPAC Name1-(oxolan-3-yl)ethanol
SMILESCC(O)C1CCOC1
InChIInChI=1S/C6H12O2/c1-5(7)6-2-3-8-4-6/h5-7H,2-4H2,1H3
InChIKeyARDSHQRPKXPELC-UHFFFAOYSA-N
XLogP0.40
TPSA29.46 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds1
Heavy Atoms8
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500116.16
LogP ≤ 50.40
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of 1-(oxolan-3-yl)ethanol?
The IUPAC name of 1-(oxolan-3-yl)ethanol (CID 59594973) is 1-(oxolan-3-yl)ethanol.
What is the SMILES notation for 1-(oxolan-3-yl)ethanol?
The canonical SMILES for 1-(oxolan-3-yl)ethanol is CC(O)C1CCOC1.
What is the InChIKey of 1-(oxolan-3-yl)ethanol?
The InChIKey is ARDSHQRPKXPELC-UHFFFAOYSA-N. The full InChI is InChI=1S/C6H12O2/c1-5(7)6-2-3-8-4-6/h5-7H,2-4H2,1H3.
What are the key properties of 1-(oxolan-3-yl)ethanol?
1-(oxolan-3-yl)ethanol has a molecular weight of 116.16 g/mol, XLogP of 0.40, 1 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(oxolan-3-yl)ethanol is sourced from PubChem (CID 59594973), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).