butan-2-one;ethane-1,2-diol;ethoxyethane

C10H24O4 — CID 87377509

IUPACbutan-2-one;ethane-1,2-diol;ethoxyethane
SMILESCCC(C)=O.CCOCC.OCCO
InChIInChI=1S/C4H10O.C4H8O.C2H6O2/c1-3-5-4-2;1-3-4(2)5;3-1-2-4/h3-4H2,1-2H3;3H2,1-2H3;3-4H,1-2H2
InChIKeyLWSDXOJSZUZIRC-UHFFFAOYSA-N
MW208.30 g/mol
LogP1.00
Rot. Bonds4

About butan-2-one;ethane-1,2-diol;ethoxyethane

butan-2-one;ethane-1,2-diol;ethoxyethane (PubChem CID 87377509) has the molecular formula C10H24O4 and a molecular weight of 208.30 g/mol. Its IUPAC name is butan-2-one;ethane-1,2-diol;ethoxyethane.

Molecular Properties

Compound Namebutan-2-one;ethane-1,2-diol;ethoxyethane
PubChem CID87377509
Molecular FormulaC10H24O4
Molecular Weight208.30 g/mol
Exact Mass208.17
IUPAC Namebutan-2-one;ethane-1,2-diol;ethoxyethane
SMILESCCC(C)=O.CCOCC.OCCO
InChIInChI=1S/C4H10O.C4H8O.C2H6O2/c1-3-5-4-2;1-3-4(2)5;3-1-2-4/h3-4H2,1-2H3;3H2,1-2H3;3-4H,1-2H2
InChIKeyLWSDXOJSZUZIRC-UHFFFAOYSA-N
XLogP1.00
TPSA66.76 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500208.30
LogP ≤ 51.00
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of butan-2-one;ethane-1,2-diol;ethoxyethane?
The IUPAC name of butan-2-one;ethane-1,2-diol;ethoxyethane (CID 87377509) is butan-2-one;ethane-1,2-diol;ethoxyethane.
What is the SMILES notation for butan-2-one;ethane-1,2-diol;ethoxyethane?
The canonical SMILES for butan-2-one;ethane-1,2-diol;ethoxyethane is CCC(C)=O.CCOCC.OCCO.
What is the InChIKey of butan-2-one;ethane-1,2-diol;ethoxyethane?
The InChIKey is LWSDXOJSZUZIRC-UHFFFAOYSA-N. The full InChI is InChI=1S/C4H10O.C4H8O.C2H6O2/c1-3-5-4-2;1-3-4(2)5;3-1-2-4/h3-4H2,1-2H3;3H2,1-2H3;3-4H,1-2H2.
What are the key properties of butan-2-one;ethane-1,2-diol;ethoxyethane?
butan-2-one;ethane-1,2-diol;ethoxyethane has a molecular weight of 208.30 g/mol, XLogP of 1.00, 4 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for butan-2-one;ethane-1,2-diol;ethoxyethane is sourced from PubChem (CID 87377509), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).