acetic acid;2-ethenoxyethanol

C6H12O4 — CID 71400985

IUPACacetic acid;2-ethenoxyethanol
SMILESC=COCCO.CC(=O)O
InChIInChI=1S/C4H8O2.C2H4O2/c1-2-6-4-3-5;1-2(3)4/h2,5H,1,3-4H2;1H3,(H,3,4)
InChIKeyBZVGZOHEUBNSKO-UHFFFAOYSA-N
MW148.16 g/mol
LogP0.23
Rot. Bonds3

About acetic acid;2-ethenoxyethanol

acetic acid;2-ethenoxyethanol (PubChem CID 71400985) has the molecular formula C6H12O4 and a molecular weight of 148.16 g/mol. Its IUPAC name is acetic acid;2-ethenoxyethanol.

Molecular Properties

Compound Nameacetic acid;2-ethenoxyethanol
PubChem CID71400985
Molecular FormulaC6H12O4
Molecular Weight148.16 g/mol
Exact Mass148.07
IUPAC Nameacetic acid;2-ethenoxyethanol
SMILESC=COCCO.CC(=O)O
InChIInChI=1S/C4H8O2.C2H4O2/c1-2-6-4-3-5;1-2(3)4/h2,5H,1,3-4H2;1H3,(H,3,4)
InChIKeyBZVGZOHEUBNSKO-UHFFFAOYSA-N
XLogP0.23
TPSA66.76 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms10
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500148.16
LogP ≤ 50.23
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'acyclic_C=C-O', 'substructure': 'N/A'}, {'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}

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Related Compounds

1,2-bis(ethenoxy)ethane;2-methylbut-2-enoic acid
CID 174797492
acetic acid;2-(2-hydroxyethoxy)ethanol
CID 158067636
2-(2-ethenoxyethoxy)ethanol;2-[2-(2-hydroxyethoxy)ethoxy]ethanol
CID 159459473
2-[2-[2-(2-ethenoxyethoxy)ethoxy]ethoxy]ethanol
CID 159071028
2-(2-ethenoxyethyl)-3-oxobutanoic acid
CID 59550015
(E)-but-2-enedioic acid;1-ethenoxybutane
CID 18004020
2-methoxyethanol;prop-2-enoic acid;titanium
CID 22899396
5-ethenoxypent-2-enoic acid
CID 173182638
1-ethenoxy-2-methoxyethane
CID 15457
acetic acid;2-(hydroxymethoxy)ethanol
CID 53447013
(E)-4-(2-ethenoxyethoxy)-4-oxobut-2-enoic acid
CID 139924951
2-ethenoxyethyl 2-methylprop-2-enoate
CID 15105

Frequently Asked Questions

What is the IUPAC name of acetic acid;2-ethenoxyethanol?
The IUPAC name of acetic acid;2-ethenoxyethanol (CID 71400985) is acetic acid;2-ethenoxyethanol.
What is the SMILES notation for acetic acid;2-ethenoxyethanol?
The canonical SMILES for acetic acid;2-ethenoxyethanol is C=COCCO.CC(=O)O.
What is the InChIKey of acetic acid;2-ethenoxyethanol?
The InChIKey is BZVGZOHEUBNSKO-UHFFFAOYSA-N. The full InChI is InChI=1S/C4H8O2.C2H4O2/c1-2-6-4-3-5;1-2(3)4/h2,5H,1,3-4H2;1H3,(H,3,4).
What are the key properties of acetic acid;2-ethenoxyethanol?
acetic acid;2-ethenoxyethanol has a molecular weight of 148.16 g/mol, XLogP of 0.23, 3 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for acetic acid;2-ethenoxyethanol is sourced from PubChem (CID 71400985), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).