oxolane;propan-2-ol

C7H16O2 — CID 22597222

IUPACoxolane;propan-2-ol
SMILESC1CCOC1.CC(C)O
InChIInChI=1S/C4H8O.C3H8O/c1-2-4-5-3-1;1-3(2)4/h1-4H2;3-4H,1-2H3
InChIKeyBHIIWXJHALLFBD-UHFFFAOYSA-N
MW132.20 g/mol
LogP1.18
Rot. Bonds

About oxolane;propan-2-ol

oxolane;propan-2-ol (PubChem CID 22597222) has the molecular formula C7H16O2 and a molecular weight of 132.20 g/mol. Its IUPAC name is oxolane;propan-2-ol.

Molecular Properties

Compound Nameoxolane;propan-2-ol
PubChem CID22597222
Molecular FormulaC7H16O2
Molecular Weight132.20 g/mol
Exact Mass132.12
IUPAC Nameoxolane;propan-2-ol
SMILESC1CCOC1.CC(C)O
InChIInChI=1S/C4H8O.C3H8O/c1-2-4-5-3-1;1-3(2)4/h1-4H2;3-4H,1-2H3
InChIKeyBHIIWXJHALLFBD-UHFFFAOYSA-N
XLogP1.18
TPSA29.46 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds
Heavy Atoms9
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500132.20
LogP ≤ 51.18
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of oxolane;propan-2-ol?
The IUPAC name of oxolane;propan-2-ol (CID 22597222) is oxolane;propan-2-ol.
What is the SMILES notation for oxolane;propan-2-ol?
The canonical SMILES for oxolane;propan-2-ol is C1CCOC1.CC(C)O.
What is the InChIKey of oxolane;propan-2-ol?
The InChIKey is BHIIWXJHALLFBD-UHFFFAOYSA-N. The full InChI is InChI=1S/C4H8O.C3H8O/c1-2-4-5-3-1;1-3(2)4/h1-4H2;3-4H,1-2H3.
What are the key properties of oxolane;propan-2-ol?
oxolane;propan-2-ol has a molecular weight of 132.20 g/mol, XLogP of 1.18, 0 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for oxolane;propan-2-ol is sourced from PubChem (CID 22597222), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).