2-ethoxyethanol;4-methyl-1,3-dioxolan-2-one

C8H16O5 — CID 174922759

IUPAC2-ethoxyethanol;4-methyl-1,3-dioxolan-2-one
SMILESCC1COC(=O)O1.CCOCCO
InChIInChI=1S/C4H6O3.C4H10O2/c1-3-2-6-4(5)7-3;1-2-6-4-3-5/h3H,2H2,1H3;5H,2-4H2,1H3
InChIKeyYKCJCRRBHLKHHU-UHFFFAOYSA-N
MW192.21 g/mol
LogP0.56
Rot. Bonds3

About 2-ethoxyethanol;4-methyl-1,3-dioxolan-2-one

2-ethoxyethanol;4-methyl-1,3-dioxolan-2-one (PubChem CID 174922759) has the molecular formula C8H16O5 and a molecular weight of 192.21 g/mol. Its IUPAC name is 2-ethoxyethanol;4-methyl-1,3-dioxolan-2-one.

Molecular Properties

Compound Name2-ethoxyethanol;4-methyl-1,3-dioxolan-2-one
PubChem CID174922759
Molecular FormulaC8H16O5
Molecular Weight192.21 g/mol
Exact Mass192.10
IUPAC Name2-ethoxyethanol;4-methyl-1,3-dioxolan-2-one
SMILESCC1COC(=O)O1.CCOCCO
InChIInChI=1S/C4H6O3.C4H10O2/c1-3-2-6-4(5)7-3;1-2-6-4-3-5/h3H,2H2,1H3;5H,2-4H2,1H3
InChIKeyYKCJCRRBHLKHHU-UHFFFAOYSA-N
XLogP0.56
TPSA64.99 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds3
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500192.21
LogP ≤ 50.56
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

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

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Related Compounds

ethyl carbamate;4-methyl-1,3-dioxolan-2-one
CID 174599772
ethyl methyl carbonate;4-methyl-1,3-dioxolan-2-one
CID 135304393
4-methyl-1,3-dioxolan-2-one;oxalic acid
CID 159173945
4-methyl-1,3-dioxolan-2-one;tetraethylazanium;fluoride
CID 21289642
dimethyl carbonate;1,3-dioxolan-2-one;ethyl methyl carbonate;4-methyl-1,3-dioxolan-2-one
CID 174559201
2,2-dimethylpropanoic acid;4-methyl-1,3-dioxolan-2-one
CID 158234660
hexane-1,1,1-triol;4-methyl-1,3-dioxolan-2-one
CID 160655445
1-[4-[[4-(2-hydroxyethoxy)phenyl]methyl]phenoxy]propan-2-ol;4-methyl-1,3-dioxolan-2-one
CID 159228900
1,3-dioxolan-2-one;4-methyl-1,3-dioxolan-2-one;pentyl acetate
CID 175300180
4-methyl-1,3-dioxolan-2-one;oxolane
CID 21280178
4-methyl-1,3-dioxolan-2-one;2-methylprop-2-enoic acid
CID 68522550
1-(1-hydroxyethylsulfanyl)ethanol;4-methyl-1,3-dioxolan-2-one
CID 174868758

Frequently Asked Questions

What is the IUPAC name of 2-ethoxyethanol;4-methyl-1,3-dioxolan-2-one?
The IUPAC name of 2-ethoxyethanol;4-methyl-1,3-dioxolan-2-one (CID 174922759) is 2-ethoxyethanol;4-methyl-1,3-dioxolan-2-one.
What is the SMILES notation for 2-ethoxyethanol;4-methyl-1,3-dioxolan-2-one?
The canonical SMILES for 2-ethoxyethanol;4-methyl-1,3-dioxolan-2-one is CC1COC(=O)O1.CCOCCO.
What is the InChIKey of 2-ethoxyethanol;4-methyl-1,3-dioxolan-2-one?
The InChIKey is YKCJCRRBHLKHHU-UHFFFAOYSA-N. The full InChI is InChI=1S/C4H6O3.C4H10O2/c1-3-2-6-4(5)7-3;1-2-6-4-3-5/h3H,2H2,1H3;5H,2-4H2,1H3.
What are the key properties of 2-ethoxyethanol;4-methyl-1,3-dioxolan-2-one?
2-ethoxyethanol;4-methyl-1,3-dioxolan-2-one has a molecular weight of 192.21 g/mol, XLogP of 0.56, 3 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2-ethoxyethanol;4-methyl-1,3-dioxolan-2-one is sourced from PubChem (CID 174922759), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).