oxolan-3-ol;propane

C7H16O2 — CID 144858845

IUPACoxolan-3-ol;propane
SMILESCCC.OC1CCOC1
InChIInChI=1S/C4H8O2.C3H8/c5-4-1-2-6-3-4;1-3-2/h4-5H,1-3H2;3H2,1-2H3
InChIKeyATLORXSCYVVJSW-UHFFFAOYSA-N
MW132.20 g/mol
LogP1.18
Rot. Bonds

About oxolan-3-ol;propane

oxolan-3-ol;propane (PubChem CID 144858845) has the molecular formula C7H16O2 and a molecular weight of 132.20 g/mol. Its IUPAC name is oxolan-3-ol;propane.

Molecular Properties

Compound Nameoxolan-3-ol;propane
PubChem CID144858845
Molecular FormulaC7H16O2
Molecular Weight132.20 g/mol
Exact Mass132.12
IUPAC Nameoxolan-3-ol;propane
SMILESCCC.OC1CCOC1
InChIInChI=1S/C4H8O2.C3H8/c5-4-1-2-6-3-4;1-3-2/h4-5H,1-3H2;3H2,1-2H3
InChIKeyATLORXSCYVVJSW-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 oxolan-3-ol;propane?
The IUPAC name of oxolan-3-ol;propane (CID 144858845) is oxolan-3-ol;propane.
What is the SMILES notation for oxolan-3-ol;propane?
The canonical SMILES for oxolan-3-ol;propane is CCC.OC1CCOC1.
What is the InChIKey of oxolan-3-ol;propane?
The InChIKey is ATLORXSCYVVJSW-UHFFFAOYSA-N. The full InChI is InChI=1S/C4H8O2.C3H8/c5-4-1-2-6-3-4;1-3-2/h4-5H,1-3H2;3H2,1-2H3.
What are the key properties of oxolan-3-ol;propane?
oxolan-3-ol;propane 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 oxolan-3-ol;propane is sourced from PubChem (CID 144858845), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).