oxolane;propan-1-ol

C7H16O2 — CID 23117334

IUPACoxolane;propan-1-ol
SMILESC1CCOC1.CCCO
InChIInChI=1S/C4H8O.C3H8O/c1-2-4-5-3-1;1-2-3-4/h1-4H2;4H,2-3H2,1H3
InChIKeyQFDBXPKKSDSURA-UHFFFAOYSA-N
MW132.20 g/mol
LogP1.19
Rot. Bonds1

About oxolane;propan-1-ol

oxolane;propan-1-ol (PubChem CID 23117334) has the molecular formula C7H16O2 and a molecular weight of 132.20 g/mol. Its IUPAC name is oxolane;propan-1-ol.

Molecular Properties

Compound Nameoxolane;propan-1-ol
PubChem CID23117334
Molecular FormulaC7H16O2
Molecular Weight132.20 g/mol
Exact Mass132.12
IUPAC Nameoxolane;propan-1-ol
SMILESC1CCOC1.CCCO
InChIInChI=1S/C4H8O.C3H8O/c1-2-4-5-3-1;1-2-3-4/h1-4H2;4H,2-3H2,1H3
InChIKeyQFDBXPKKSDSURA-UHFFFAOYSA-N
XLogP1.19
TPSA29.46 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds1
Heavy Atoms9
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500132.20
LogP ≤ 51.19
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of oxolane;propan-1-ol?
The IUPAC name of oxolane;propan-1-ol (CID 23117334) is oxolane;propan-1-ol.
What is the SMILES notation for oxolane;propan-1-ol?
The canonical SMILES for oxolane;propan-1-ol is C1CCOC1.CCCO.
What is the InChIKey of oxolane;propan-1-ol?
The InChIKey is QFDBXPKKSDSURA-UHFFFAOYSA-N. The full InChI is InChI=1S/C4H8O.C3H8O/c1-2-4-5-3-1;1-2-3-4/h1-4H2;4H,2-3H2,1H3.
What are the key properties of oxolane;propan-1-ol?
oxolane;propan-1-ol has a molecular weight of 132.20 g/mol, XLogP of 1.19, 1 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for oxolane;propan-1-ol is sourced from PubChem (CID 23117334), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).