oxolane;propan-2-ol;hydrate

C7H18O3 — CID 22722550

IUPACoxolane;propan-2-ol;hydrate
SMILESC1CCOC1.CC(C)O.O
InChIInChI=1S/C4H8O.C3H8O.H2O/c1-2-4-5-3-1;1-3(2)4;/h1-4H2;3-4H,1-2H3;1H2
InChIKeyVGZHMKYEXCMLIV-UHFFFAOYSA-N
MW150.22 g/mol
LogP0.36
Rot. Bonds

About oxolane;propan-2-ol;hydrate

oxolane;propan-2-ol;hydrate (PubChem CID 22722550) has the molecular formula C7H18O3 and a molecular weight of 150.22 g/mol. Its IUPAC name is oxolane;propan-2-ol;hydrate.

Molecular Properties

Compound Nameoxolane;propan-2-ol;hydrate
PubChem CID22722550
Molecular FormulaC7H18O3
Molecular Weight150.22 g/mol
Exact Mass150.13
IUPAC Nameoxolane;propan-2-ol;hydrate
SMILESC1CCOC1.CC(C)O.O
InChIInChI=1S/C4H8O.C3H8O.H2O/c1-2-4-5-3-1;1-3(2)4;/h1-4H2;3-4H,1-2H3;1H2
InChIKeyVGZHMKYEXCMLIV-UHFFFAOYSA-N
XLogP0.36
TPSA60.96 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds
Heavy Atoms10
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500150.22
LogP ≤ 50.36
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;hydrate?
The IUPAC name of oxolane;propan-2-ol;hydrate (CID 22722550) is oxolane;propan-2-ol;hydrate.
What is the SMILES notation for oxolane;propan-2-ol;hydrate?
The canonical SMILES for oxolane;propan-2-ol;hydrate is C1CCOC1.CC(C)O.O.
What is the InChIKey of oxolane;propan-2-ol;hydrate?
The InChIKey is VGZHMKYEXCMLIV-UHFFFAOYSA-N. The full InChI is InChI=1S/C4H8O.C3H8O.H2O/c1-2-4-5-3-1;1-3(2)4;/h1-4H2;3-4H,1-2H3;1H2.
What are the key properties of oxolane;propan-2-ol;hydrate?
oxolane;propan-2-ol;hydrate has a molecular weight of 150.22 g/mol, XLogP of 0.36, 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;hydrate is sourced from PubChem (CID 22722550), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).