ethanol;tetrakis(propan-2-one)

C14H30O5 — CID 19429959

IUPACethanol;tetrakis(propan-2-one)
SMILESCC(C)=O.CC(C)=O.CC(C)=O.CC(C)=O.CCO
InChIInChI=1S/4C3H6O.C2H6O/c4*1-3(2)4;1-2-3/h4*1-2H3;3H,2H2,1H3
InChIKeyHOTIQGAJINHAME-UHFFFAOYSA-N
MW278.39 g/mol
LogP2.38
Rot. Bonds

About ethanol;tetrakis(propan-2-one)

ethanol;tetrakis(propan-2-one) (PubChem CID 19429959) has the molecular formula C14H30O5 and a molecular weight of 278.39 g/mol. Its IUPAC name is ethanol;tetrakis(propan-2-one).

Molecular Properties

Compound Nameethanol;tetrakis(propan-2-one)
PubChem CID19429959
Molecular FormulaC14H30O5
Molecular Weight278.39 g/mol
Exact Mass278.21
IUPAC Nameethanol;tetrakis(propan-2-one)
SMILESCC(C)=O.CC(C)=O.CC(C)=O.CC(C)=O.CCO
InChIInChI=1S/4C3H6O.C2H6O/c4*1-3(2)4;1-2-3/h4*1-2H3;3H,2H2,1H3
InChIKeyHOTIQGAJINHAME-UHFFFAOYSA-N
XLogP2.38
TPSA88.51 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500278.39
LogP ≤ 52.38
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of ethanol;tetrakis(propan-2-one)?
The IUPAC name of ethanol;tetrakis(propan-2-one) (CID 19429959) is ethanol;tetrakis(propan-2-one).
What is the SMILES notation for ethanol;tetrakis(propan-2-one)?
The canonical SMILES for ethanol;tetrakis(propan-2-one) is CC(C)=O.CC(C)=O.CC(C)=O.CC(C)=O.CCO.
What is the InChIKey of ethanol;tetrakis(propan-2-one)?
The InChIKey is HOTIQGAJINHAME-UHFFFAOYSA-N. The full InChI is InChI=1S/4C3H6O.C2H6O/c4*1-3(2)4;1-2-3/h4*1-2H3;3H,2H2,1H3.
What are the key properties of ethanol;tetrakis(propan-2-one)?
ethanol;tetrakis(propan-2-one) has a molecular weight of 278.39 g/mol, XLogP of 2.38, 0 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for ethanol;tetrakis(propan-2-one) is sourced from PubChem (CID 19429959), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).