ethane-1,2-diol;propan-2-one

C5H12O3 — CID 18795199

IUPACethane-1,2-diol;propan-2-one
SMILESCC(C)=O.OCCO
InChIInChI=1S/C3H6O.C2H6O2/c1-3(2)4;3-1-2-4/h1-2H3;3-4H,1-2H2
InChIKeyACOTYZCHRLPBKW-UHFFFAOYSA-N
MW120.15 g/mol
LogP-0.43
Rot. Bonds1

About ethane-1,2-diol;propan-2-one

ethane-1,2-diol;propan-2-one (PubChem CID 18795199) has the molecular formula C5H12O3 and a molecular weight of 120.15 g/mol. Its IUPAC name is ethane-1,2-diol;propan-2-one.

Molecular Properties

Compound Nameethane-1,2-diol;propan-2-one
PubChem CID18795199
Molecular FormulaC5H12O3
Molecular Weight120.15 g/mol
Exact Mass120.08
IUPAC Nameethane-1,2-diol;propan-2-one
SMILESCC(C)=O.OCCO
InChIInChI=1S/C3H6O.C2H6O2/c1-3(2)4;3-1-2-4/h1-2H3;3-4H,1-2H2
InChIKeyACOTYZCHRLPBKW-UHFFFAOYSA-N
XLogP-0.43
TPSA57.53 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds1
Heavy Atoms8
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500120.15
LogP ≤ 5-0.43
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of ethane-1,2-diol;propan-2-one?
The IUPAC name of ethane-1,2-diol;propan-2-one (CID 18795199) is ethane-1,2-diol;propan-2-one.
What is the SMILES notation for ethane-1,2-diol;propan-2-one?
The canonical SMILES for ethane-1,2-diol;propan-2-one is CC(C)=O.OCCO.
What is the InChIKey of ethane-1,2-diol;propan-2-one?
The InChIKey is ACOTYZCHRLPBKW-UHFFFAOYSA-N. The full InChI is InChI=1S/C3H6O.C2H6O2/c1-3(2)4;3-1-2-4/h1-2H3;3-4H,1-2H2.
What are the key properties of ethane-1,2-diol;propan-2-one?
ethane-1,2-diol;propan-2-one has a molecular weight of 120.15 g/mol, XLogP of -0.43, 1 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for ethane-1,2-diol;propan-2-one is sourced from PubChem (CID 18795199), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).