bis(ethane-1,2-diol);bis(propan-2-one)

C10H24O6 — CID 158462178

IUPACbis(ethane-1,2-diol);bis(propan-2-one)
SMILESCC(C)=O.CC(C)=O.OCCO.OCCO
InChIInChI=1S/2C3H6O.2C2H6O2/c2*1-3(2)4;2*3-1-2-4/h2*1-2H3;2*3-4H,1-2H2
InChIKeyHFHVKKKOUYJPHC-UHFFFAOYSA-N
MW240.30 g/mol
LogP-0.87
Rot. Bonds2

About bis(ethane-1,2-diol);bis(propan-2-one)

bis(ethane-1,2-diol);bis(propan-2-one) (PubChem CID 158462178) has the molecular formula C10H24O6 and a molecular weight of 240.30 g/mol. Its IUPAC name is bis(ethane-1,2-diol);bis(propan-2-one).

Molecular Properties

Compound Namebis(ethane-1,2-diol);bis(propan-2-one)
PubChem CID158462178
Molecular FormulaC10H24O6
Molecular Weight240.30 g/mol
Exact Mass240.16
IUPAC Namebis(ethane-1,2-diol);bis(propan-2-one)
SMILESCC(C)=O.CC(C)=O.OCCO.OCCO
InChIInChI=1S/2C3H6O.2C2H6O2/c2*1-3(2)4;2*3-1-2-4/h2*1-2H3;2*3-4H,1-2H2
InChIKeyHFHVKKKOUYJPHC-UHFFFAOYSA-N
XLogP-0.87
TPSA115.06 Ų
H-Bond Donors4
H-Bond Acceptors6
Rotatable Bonds2
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500240.30
LogP ≤ 5-0.87
H-Bond Donors ≤ 54
H-Bond Acceptors ≤ 106

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Related Compounds

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CID 161248313
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CID 19604749
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Frequently Asked Questions

What is the IUPAC name of bis(ethane-1,2-diol);bis(propan-2-one)?
The IUPAC name of bis(ethane-1,2-diol);bis(propan-2-one) (CID 158462178) is bis(ethane-1,2-diol);bis(propan-2-one).
What is the SMILES notation for bis(ethane-1,2-diol);bis(propan-2-one)?
The canonical SMILES for bis(ethane-1,2-diol);bis(propan-2-one) is CC(C)=O.CC(C)=O.OCCO.OCCO.
What is the InChIKey of bis(ethane-1,2-diol);bis(propan-2-one)?
The InChIKey is HFHVKKKOUYJPHC-UHFFFAOYSA-N. The full InChI is InChI=1S/2C3H6O.2C2H6O2/c2*1-3(2)4;2*3-1-2-4/h2*1-2H3;2*3-4H,1-2H2.
What are the key properties of bis(ethane-1,2-diol);bis(propan-2-one)?
bis(ethane-1,2-diol);bis(propan-2-one) has a molecular weight of 240.30 g/mol, XLogP of -0.87, 2 rotatable bonds, 4 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for bis(ethane-1,2-diol);bis(propan-2-one) is sourced from PubChem (CID 158462178), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).