4-(2-ethoxyethoxy)-2-methylidenebutanoic acid

C9H16O4 — CID 22662596

IUPAC4-(2-ethoxyethoxy)-2-methylidenebutanoic acid
SMILESC=C(CCOCCOCC)C(=O)O
InChIInChI=1S/C9H16O4/c1-3-12-6-7-13-5-4-8(2)9(10)11/h2-7H2,1H3,(H,10,11)
InChIKeyLTQUNXZZRXILFZ-UHFFFAOYSA-N
MW188.22 g/mol
LogP1.07
Rot. Bonds8

About 4-(2-ethoxyethoxy)-2-methylidenebutanoic acid

4-(2-ethoxyethoxy)-2-methylidenebutanoic acid (PubChem CID 22662596) has the molecular formula C9H16O4 and a molecular weight of 188.22 g/mol. Its IUPAC name is 4-(2-ethoxyethoxy)-2-methylidenebutanoic acid.

Molecular Properties

Compound Name4-(2-ethoxyethoxy)-2-methylidenebutanoic acid
PubChem CID22662596
Molecular FormulaC9H16O4
Molecular Weight188.22 g/mol
Exact Mass188.10
IUPAC Name4-(2-ethoxyethoxy)-2-methylidenebutanoic acid
SMILESC=C(CCOCCOCC)C(=O)O
InChIInChI=1S/C9H16O4/c1-3-12-6-7-13-5-4-8(2)9(10)11/h2-7H2,1H3,(H,10,11)
InChIKeyLTQUNXZZRXILFZ-UHFFFAOYSA-N
XLogP1.07
TPSA55.76 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds8
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500188.22
LogP ≤ 51.07
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}, {'alert_name': 'Michael_acceptor_1', 'substructure': 'N/A'}

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Related Compounds

5-(2-ethoxyethoxy)-2-methylidenepentanoic acid;5-(2-methoxyethoxy)-2-methylidenepentanoic acid
CID 87657263
4-(2-ethoxyethoxy)-2-methylidenebutanoic acid;ethyl prop-2-enoate
CID 161209562
3-[2-[2-[2-[2-[2-[2-[2-[2-(2-ethoxyethoxy)ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]propanoic acid
CID 155128339
5-(5-ethoxy-2-methylidenepentanoyl)oxy-2-methylidenepentanoic acid
CID 91518371
benzene;3-(2-ethoxyethoxy)propanoic acid
CID 174652454
4-[2-(2-ethoxyethoxy)ethoxy]butan-2-one
CID 90132734
2-methylidene-6-propoxyhexanoic acid
CID 54278794
2-methylidene-5-pentoxypentanoic acid
CID 87899269
3-[2-[2-[2-[2-[2-[2-[2-[2-[2-[2-(2-ethoxyethoxy)ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]propanamide
CID 89154469
4-but-3-enoxy-2-methylidenebutanoic acid
CID 89346702
2-methylidene-4-octa-3,5-dienoxybutanoic acid
CID 87090778
7-hexoxy-2-methylideneheptanoic acid
CID 141336232

Frequently Asked Questions

What is the IUPAC name of 4-(2-ethoxyethoxy)-2-methylidenebutanoic acid?
The IUPAC name of 4-(2-ethoxyethoxy)-2-methylidenebutanoic acid (CID 22662596) is 4-(2-ethoxyethoxy)-2-methylidenebutanoic acid.
What is the SMILES notation for 4-(2-ethoxyethoxy)-2-methylidenebutanoic acid?
The canonical SMILES for 4-(2-ethoxyethoxy)-2-methylidenebutanoic acid is C=C(CCOCCOCC)C(=O)O.
What is the InChIKey of 4-(2-ethoxyethoxy)-2-methylidenebutanoic acid?
The InChIKey is LTQUNXZZRXILFZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H16O4/c1-3-12-6-7-13-5-4-8(2)9(10)11/h2-7H2,1H3,(H,10,11).
What are the key properties of 4-(2-ethoxyethoxy)-2-methylidenebutanoic acid?
4-(2-ethoxyethoxy)-2-methylidenebutanoic acid has a molecular weight of 188.22 g/mol, XLogP of 1.07, 8 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 4-(2-ethoxyethoxy)-2-methylidenebutanoic acid is sourced from PubChem (CID 22662596), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).