1-(oxolan-2-yl)propane-1,2-diol

C7H14O3 — CID 142778097

IUPAC1-(oxolan-2-yl)propane-1,2-diol
SMILESCC(O)C(O)C1CCCO1
InChIInChI=1S/C7H14O3/c1-5(8)7(9)6-3-2-4-10-6/h5-9H,2-4H2,1H3
InChIKeyFZPIMHMFUQGSBE-UHFFFAOYSA-N
MW146.19 g/mol
LogP-0.09
Rot. Bonds2

About 1-(oxolan-2-yl)propane-1,2-diol

1-(oxolan-2-yl)propane-1,2-diol (PubChem CID 142778097) has the molecular formula C7H14O3 and a molecular weight of 146.19 g/mol. Its IUPAC name is 1-(oxolan-2-yl)propane-1,2-diol.

Molecular Properties

Compound Name1-(oxolan-2-yl)propane-1,2-diol
PubChem CID142778097
Molecular FormulaC7H14O3
Molecular Weight146.19 g/mol
Exact Mass146.09
IUPAC Name1-(oxolan-2-yl)propane-1,2-diol
SMILESCC(O)C(O)C1CCCO1
InChIInChI=1S/C7H14O3/c1-5(8)7(9)6-3-2-4-10-6/h5-9H,2-4H2,1H3
InChIKeyFZPIMHMFUQGSBE-UHFFFAOYSA-N
XLogP-0.09
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 ≤ 5-0.09
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 1-(oxolan-2-yl)propane-1,2-diol?
The IUPAC name of 1-(oxolan-2-yl)propane-1,2-diol (CID 142778097) is 1-(oxolan-2-yl)propane-1,2-diol.
What is the SMILES notation for 1-(oxolan-2-yl)propane-1,2-diol?
The canonical SMILES for 1-(oxolan-2-yl)propane-1,2-diol is CC(O)C(O)C1CCCO1.
What is the InChIKey of 1-(oxolan-2-yl)propane-1,2-diol?
The InChIKey is FZPIMHMFUQGSBE-UHFFFAOYSA-N. The full InChI is InChI=1S/C7H14O3/c1-5(8)7(9)6-3-2-4-10-6/h5-9H,2-4H2,1H3.
What are the key properties of 1-(oxolan-2-yl)propane-1,2-diol?
1-(oxolan-2-yl)propane-1,2-diol has a molecular weight of 146.19 g/mol, XLogP of -0.09, 2 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(oxolan-2-yl)propane-1,2-diol is sourced from PubChem (CID 142778097), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).