2-ethoxyethanol;propan-2-one

C7H16O3 — CID 21421298

IUPAC2-ethoxyethanol;propan-2-one
SMILESCC(C)=O.CCOCCO
InChIInChI=1S/C4H10O2.C3H6O/c1-2-6-4-3-5;1-3(2)4/h5H,2-4H2,1H3;1-2H3
InChIKeyPPLYCHBENKWCFC-UHFFFAOYSA-N
MW148.20 g/mol
LogP0.61
Rot. Bonds3

About 2-ethoxyethanol;propan-2-one

2-ethoxyethanol;propan-2-one (PubChem CID 21421298) has the molecular formula C7H16O3 and a molecular weight of 148.20 g/mol. Its IUPAC name is 2-ethoxyethanol;propan-2-one.

Molecular Properties

Compound Name2-ethoxyethanol;propan-2-one
PubChem CID21421298
Molecular FormulaC7H16O3
Molecular Weight148.20 g/mol
Exact Mass148.11
IUPAC Name2-ethoxyethanol;propan-2-one
SMILESCC(C)=O.CCOCCO
InChIInChI=1S/C4H10O2.C3H6O/c1-2-6-4-3-5;1-3(2)4/h5H,2-4H2,1H3;1-2H3
InChIKeyPPLYCHBENKWCFC-UHFFFAOYSA-N
XLogP0.61
TPSA46.53 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms10
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500148.20
LogP ≤ 50.61
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

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Related Compounds

Dipropylene glycol monomethyl ether
CID 25484
Diethylene glycol monopropyl ether
CID 81313
Ethanol, 2-(2-(1-methylethoxy)ethoxy)-
CID 79429
1-(2-Methoxypropoxy)-2-propanol
CID 25982
1-(2-Ethoxyethoxy)propan-2-ol
CID 113743
1-(1-Methylpropoxy)-2-propanol
CID 40925
2-Propanone, 1-(2-hydroxyethoxy)-
CID 13593982
Methylcellosolve-aceton
CID 18314300
CID 134971050
CID 134971050
Methanol acetone diethyl ether
CID 18412823
Ethane-1,2-diol;propan-2-one
CID 18795199
Methoxymethane;2-propoxyethanol
CID 20200048

Frequently Asked Questions

What is the IUPAC name of 2-ethoxyethanol;propan-2-one?
The IUPAC name of 2-ethoxyethanol;propan-2-one (CID 21421298) is 2-ethoxyethanol;propan-2-one.
What is the SMILES notation for 2-ethoxyethanol;propan-2-one?
The canonical SMILES for 2-ethoxyethanol;propan-2-one is CC(C)=O.CCOCCO.
What is the InChIKey of 2-ethoxyethanol;propan-2-one?
The InChIKey is PPLYCHBENKWCFC-UHFFFAOYSA-N. The full InChI is InChI=1S/C4H10O2.C3H6O/c1-2-6-4-3-5;1-3(2)4/h5H,2-4H2,1H3;1-2H3.
What are the key properties of 2-ethoxyethanol;propan-2-one?
2-ethoxyethanol;propan-2-one has a molecular weight of 148.20 g/mol, XLogP of 0.61, 3 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-ethoxyethanol;propan-2-one is sourced from PubChem (CID 21421298), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).