ethane;formaldehyde;propane

C11H28O4 — CID 160717589

IUPACethane;formaldehyde;propane
SMILESC=O.C=O.C=O.C=O.CC.CC.CCC
InChIInChI=1S/C3H8.2C2H6.4CH2O/c1-3-2;6*1-2/h3H2,1-2H3;2*1-2H3;4*1H2
InChIKeyRSRHIMGDWGCBFB-UHFFFAOYSA-N
MW224.34 g/mol
LogP2.73
Rot. Bonds

About ethane;formaldehyde;propane

ethane;formaldehyde;propane (PubChem CID 160717589) has the molecular formula C11H28O4 and a molecular weight of 224.34 g/mol. Its IUPAC name is ethane;formaldehyde;propane.

Molecular Properties

Compound Nameethane;formaldehyde;propane
PubChem CID160717589
Molecular FormulaC11H28O4
Molecular Weight224.34 g/mol
Exact Mass224.20
IUPAC Nameethane;formaldehyde;propane
SMILESC=O.C=O.C=O.C=O.CC.CC.CCC
InChIInChI=1S/C3H8.2C2H6.4CH2O/c1-3-2;6*1-2/h3H2,1-2H3;2*1-2H3;4*1H2
InChIKeyRSRHIMGDWGCBFB-UHFFFAOYSA-N
XLogP2.73
TPSA68.28 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500224.34
LogP ≤ 52.73
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of ethane;formaldehyde;propane?
The IUPAC name of ethane;formaldehyde;propane (CID 160717589) is ethane;formaldehyde;propane.
What is the SMILES notation for ethane;formaldehyde;propane?
The canonical SMILES for ethane;formaldehyde;propane is C=O.C=O.C=O.C=O.CC.CC.CCC.
What is the InChIKey of ethane;formaldehyde;propane?
The InChIKey is RSRHIMGDWGCBFB-UHFFFAOYSA-N. The full InChI is InChI=1S/C3H8.2C2H6.4CH2O/c1-3-2;6*1-2/h3H2,1-2H3;2*1-2H3;4*1H2.
What are the key properties of ethane;formaldehyde;propane?
ethane;formaldehyde;propane has a molecular weight of 224.34 g/mol, XLogP of 2.73, 0 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for ethane;formaldehyde;propane is sourced from PubChem (CID 160717589), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).