ethane-1,2-diol;ethoxyethane;pentan-3-one

C11H26O4 — CID 87877050

IUPACethane-1,2-diol;ethoxyethane;pentan-3-one
SMILESCCC(=O)CC.CCOCC.OCCO
InChIInChI=1S/C5H10O.C4H10O.C2H6O2/c1-3-5(6)4-2;1-3-5-4-2;3-1-2-4/h3-4H2,1-2H3;3-4H2,1-2H3;3-4H,1-2H2
InChIKeyAMIKAHZNXNFWPW-UHFFFAOYSA-N
MW222.32 g/mol
LogP1.39
Rot. Bonds5

About ethane-1,2-diol;ethoxyethane;pentan-3-one

ethane-1,2-diol;ethoxyethane;pentan-3-one (PubChem CID 87877050) has the molecular formula C11H26O4 and a molecular weight of 222.32 g/mol. Its IUPAC name is ethane-1,2-diol;ethoxyethane;pentan-3-one.

Molecular Properties

Compound Nameethane-1,2-diol;ethoxyethane;pentan-3-one
PubChem CID87877050
Molecular FormulaC11H26O4
Molecular Weight222.32 g/mol
Exact Mass222.18
IUPAC Nameethane-1,2-diol;ethoxyethane;pentan-3-one
SMILESCCC(=O)CC.CCOCC.OCCO
InChIInChI=1S/C5H10O.C4H10O.C2H6O2/c1-3-5(6)4-2;1-3-5-4-2;3-1-2-4/h3-4H2,1-2H3;3-4H2,1-2H3;3-4H,1-2H2
InChIKeyAMIKAHZNXNFWPW-UHFFFAOYSA-N
XLogP1.39
TPSA66.76 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500222.32
LogP ≤ 51.39
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of ethane-1,2-diol;ethoxyethane;pentan-3-one?
The IUPAC name of ethane-1,2-diol;ethoxyethane;pentan-3-one (CID 87877050) is ethane-1,2-diol;ethoxyethane;pentan-3-one.
What is the SMILES notation for ethane-1,2-diol;ethoxyethane;pentan-3-one?
The canonical SMILES for ethane-1,2-diol;ethoxyethane;pentan-3-one is CCC(=O)CC.CCOCC.OCCO.
What is the InChIKey of ethane-1,2-diol;ethoxyethane;pentan-3-one?
The InChIKey is AMIKAHZNXNFWPW-UHFFFAOYSA-N. The full InChI is InChI=1S/C5H10O.C4H10O.C2H6O2/c1-3-5(6)4-2;1-3-5-4-2;3-1-2-4/h3-4H2,1-2H3;3-4H2,1-2H3;3-4H,1-2H2.
What are the key properties of ethane-1,2-diol;ethoxyethane;pentan-3-one?
ethane-1,2-diol;ethoxyethane;pentan-3-one has a molecular weight of 222.32 g/mol, XLogP of 1.39, 5 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for ethane-1,2-diol;ethoxyethane;pentan-3-one is sourced from PubChem (CID 87877050), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).