butan-2-one;2-[2-(2-hydroxyethoxy)ethoxy]ethanol

C10H22O5 — CID 21425085

IUPACbutan-2-one;2-[2-(2-hydroxyethoxy)ethoxy]ethanol
SMILESCCC(C)=O.OCCOCCOCCO
InChIInChI=1S/C6H14O4.C4H8O/c7-1-3-9-5-6-10-4-2-8;1-3-4(2)5/h7-8H,1-6H2;3H2,1-2H3
InChIKeyQCVDNFWHXASEIY-UHFFFAOYSA-N
MW222.28 g/mol
LogP-0.01
Rot. Bonds8

About butan-2-one;2-[2-(2-hydroxyethoxy)ethoxy]ethanol

butan-2-one;2-[2-(2-hydroxyethoxy)ethoxy]ethanol (PubChem CID 21425085) has the molecular formula C10H22O5 and a molecular weight of 222.28 g/mol. Its IUPAC name is butan-2-one;2-[2-(2-hydroxyethoxy)ethoxy]ethanol.

Molecular Properties

Compound Namebutan-2-one;2-[2-(2-hydroxyethoxy)ethoxy]ethanol
PubChem CID21425085
Molecular FormulaC10H22O5
Molecular Weight222.28 g/mol
Exact Mass222.15
IUPAC Namebutan-2-one;2-[2-(2-hydroxyethoxy)ethoxy]ethanol
SMILESCCC(C)=O.OCCOCCOCCO
InChIInChI=1S/C6H14O4.C4H8O/c7-1-3-9-5-6-10-4-2-8;1-3-4(2)5/h7-8H,1-6H2;3H2,1-2H3
InChIKeyQCVDNFWHXASEIY-UHFFFAOYSA-N
XLogP-0.01
TPSA75.99 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds8
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500222.28
LogP ≤ 5-0.01
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of butan-2-one;2-[2-(2-hydroxyethoxy)ethoxy]ethanol?
The IUPAC name of butan-2-one;2-[2-(2-hydroxyethoxy)ethoxy]ethanol (CID 21425085) is butan-2-one;2-[2-(2-hydroxyethoxy)ethoxy]ethanol.
What is the SMILES notation for butan-2-one;2-[2-(2-hydroxyethoxy)ethoxy]ethanol?
The canonical SMILES for butan-2-one;2-[2-(2-hydroxyethoxy)ethoxy]ethanol is CCC(C)=O.OCCOCCOCCO.
What is the InChIKey of butan-2-one;2-[2-(2-hydroxyethoxy)ethoxy]ethanol?
The InChIKey is QCVDNFWHXASEIY-UHFFFAOYSA-N. The full InChI is InChI=1S/C6H14O4.C4H8O/c7-1-3-9-5-6-10-4-2-8;1-3-4(2)5/h7-8H,1-6H2;3H2,1-2H3.
What are the key properties of butan-2-one;2-[2-(2-hydroxyethoxy)ethoxy]ethanol?
butan-2-one;2-[2-(2-hydroxyethoxy)ethoxy]ethanol has a molecular weight of 222.28 g/mol, XLogP of -0.01, 8 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for butan-2-one;2-[2-(2-hydroxyethoxy)ethoxy]ethanol is sourced from PubChem (CID 21425085), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).