ethanol;propane

C9H26O3 — CID 158736248

IUPACethanol;propane
SMILESCCC.CCO.CCO.CCO
InChIInChI=1S/C3H8.3C2H6O/c1-3-2;3*1-2-3/h3H2,1-2H3;3*3H,2H2,1H3
InChIKeyILSHEBNQHBZRAD-UHFFFAOYSA-N
MW182.30 g/mol
LogP1.41
Rot. Bonds

About ethanol;propane

ethanol;propane (PubChem CID 158736248) has the molecular formula C9H26O3 and a molecular weight of 182.30 g/mol. Its IUPAC name is ethanol;propane.

Molecular Properties

Compound Nameethanol;propane
PubChem CID158736248
Molecular FormulaC9H26O3
Molecular Weight182.30 g/mol
Exact Mass182.19
IUPAC Nameethanol;propane
SMILESCCC.CCO.CCO.CCO
InChIInChI=1S/C3H8.3C2H6O/c1-3-2;3*1-2-3/h3H2,1-2H3;3*3H,2H2,1H3
InChIKeyILSHEBNQHBZRAD-UHFFFAOYSA-N
XLogP1.41
TPSA60.69 Ų
H-Bond Donors3
H-Bond Acceptors3
Rotatable Bonds
Heavy Atoms12
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500182.30
LogP ≤ 51.41
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of ethanol;propane?
The IUPAC name of ethanol;propane (CID 158736248) is ethanol;propane.
What is the SMILES notation for ethanol;propane?
The canonical SMILES for ethanol;propane is CCC.CCO.CCO.CCO.
What is the InChIKey of ethanol;propane?
The InChIKey is ILSHEBNQHBZRAD-UHFFFAOYSA-N. The full InChI is InChI=1S/C3H8.3C2H6O/c1-3-2;3*1-2-3/h3H2,1-2H3;3*3H,2H2,1H3.
What are the key properties of ethanol;propane?
ethanol;propane has a molecular weight of 182.30 g/mol, XLogP of 1.41, 0 rotatable bonds, 3 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for ethanol;propane is sourced from PubChem (CID 158736248), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).