5-(2-ethoxyethoxy)-2-methylidenepentanoic acid;5-(2-methoxyethoxy)-2-methylidenepentanoic acid

C19H34O8 — CID 87657263

IUPAC5-(2-ethoxyethoxy)-2-methylidenepentanoic acid;5-(2-methoxyethoxy)-2-methylidenepentanoic acid
SMILESC=C(CCCOCCOC)C(=O)O.C=C(CCCOCCOCC)C(=O)O
InChIInChI=1S/C10H18O4.C9H16O4/c1-3-13-7-8-14-6-4-5-9(2)10(11)12;1-8(9(10)11)4-3-5-13-7-6-12-2/h2-8H2,1H3,(H,11,12);1,3-7H2,2H3,(H,10,11)
InChIKeyGJZAZMFRGSWZKQ-UHFFFAOYSA-N
MW390.47 g/mol
LogP2.53
Rot. Bonds17

About 5-(2-ethoxyethoxy)-2-methylidenepentanoic acid;5-(2-methoxyethoxy)-2-methylidenepentanoic acid

5-(2-ethoxyethoxy)-2-methylidenepentanoic acid;5-(2-methoxyethoxy)-2-methylidenepentanoic acid (PubChem CID 87657263) has the molecular formula C19H34O8 and a molecular weight of 390.47 g/mol. Its IUPAC name is 5-(2-ethoxyethoxy)-2-methylidenepentanoic acid;5-(2-methoxyethoxy)-2-methylidenepentanoic acid.

Molecular Properties

Compound Name5-(2-ethoxyethoxy)-2-methylidenepentanoic acid;5-(2-methoxyethoxy)-2-methylidenepentanoic acid
PubChem CID87657263
Molecular FormulaC19H34O8
Molecular Weight390.47 g/mol
Exact Mass390.23
IUPAC Name5-(2-ethoxyethoxy)-2-methylidenepentanoic acid;5-(2-methoxyethoxy)-2-methylidenepentanoic acid
SMILESC=C(CCCOCCOC)C(=O)O.C=C(CCCOCCOCC)C(=O)O
InChIInChI=1S/C10H18O4.C9H16O4/c1-3-13-7-8-14-6-4-5-9(2)10(11)12;1-8(9(10)11)4-3-5-13-7-6-12-2/h2-8H2,1H3,(H,11,12);1,3-7H2,2H3,(H,10,11)
InChIKeyGJZAZMFRGSWZKQ-UHFFFAOYSA-N
XLogP2.53
TPSA111.52 Ų
H-Bond Donors2
H-Bond Acceptors6
Rotatable Bonds17
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500390.47
LogP ≤ 52.53
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 106

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

4-(2-ethoxyethoxy)-2-methylidenebutanoic acid
CID 22662596
5-(5-ethoxy-2-methylidenepentanoyl)oxy-2-methylidenepentanoic acid
CID 91518371
2-methylidene-5-pentoxypentanoic acid
CID 87899269
carbonic acid;1-(2-ethoxyethoxy)-2-methoxyethane
CID 87519570
2-methylidene-6-propoxyhexanoic acid
CID 54278794
7-hexoxy-2-methylideneheptanoic acid
CID 141336232
4-(2-ethoxyethoxy)-2-methylidenebutanoic acid;ethyl prop-2-enoate
CID 161209562
1,2-dimethoxyethane;1-ethoxy-2-(2-ethoxyethoxy)ethane
CID 159445382
1-[2-[2-(2-ethoxyethoxy)ethoxy]ethoxy]-2-methoxyethane
CID 19982973
1-(2-ethoxyethoxy)-2-methoxyethane;methane
CID 162070739
5-(1-ethoxyethoxy)-2-methylidenepentanoic acid
CID 54436382
4-[2-[2-[2-(2-methoxyethoxy)ethoxy]ethoxy]ethoxy]butanamide
CID 122695577

Frequently Asked Questions

What is the IUPAC name of 5-(2-ethoxyethoxy)-2-methylidenepentanoic acid;5-(2-methoxyethoxy)-2-methylidenepentanoic acid?
The IUPAC name of 5-(2-ethoxyethoxy)-2-methylidenepentanoic acid;5-(2-methoxyethoxy)-2-methylidenepentanoic acid (CID 87657263) is 5-(2-ethoxyethoxy)-2-methylidenepentanoic acid;5-(2-methoxyethoxy)-2-methylidenepentanoic acid.
What is the SMILES notation for 5-(2-ethoxyethoxy)-2-methylidenepentanoic acid;5-(2-methoxyethoxy)-2-methylidenepentanoic acid?
The canonical SMILES for 5-(2-ethoxyethoxy)-2-methylidenepentanoic acid;5-(2-methoxyethoxy)-2-methylidenepentanoic acid is C=C(CCCOCCOC)C(=O)O.C=C(CCCOCCOCC)C(=O)O.
What is the InChIKey of 5-(2-ethoxyethoxy)-2-methylidenepentanoic acid;5-(2-methoxyethoxy)-2-methylidenepentanoic acid?
The InChIKey is GJZAZMFRGSWZKQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H18O4.C9H16O4/c1-3-13-7-8-14-6-4-5-9(2)10(11)12;1-8(9(10)11)4-3-5-13-7-6-12-2/h2-8H2,1H3,(H,11,12);1,3-7H2,2H3,(H,10,11).
What are the key properties of 5-(2-ethoxyethoxy)-2-methylidenepentanoic acid;5-(2-methoxyethoxy)-2-methylidenepentanoic acid?
5-(2-ethoxyethoxy)-2-methylidenepentanoic acid;5-(2-methoxyethoxy)-2-methylidenepentanoic acid has a molecular weight of 390.47 g/mol, XLogP of 2.53, 17 rotatable bonds, 2 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 5-(2-ethoxyethoxy)-2-methylidenepentanoic acid;5-(2-methoxyethoxy)-2-methylidenepentanoic acid is sourced from PubChem (CID 87657263), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).