5-(1-ethoxyethoxy)-2-methylidenepentanoic acid

C10H18O4 — CID 54436382

IUPAC5-(1-ethoxyethoxy)-2-methylidenepentanoic acid
SMILESC=C(CCCOC(C)OCC)C(=O)O
InChIInChI=1S/C10H18O4/c1-4-13-9(3)14-7-5-6-8(2)10(11)12/h9H,2,4-7H2,1,3H3,(H,11,12)
InChIKeyWLAHVOUGEBHNJI-UHFFFAOYSA-N
MW202.25 g/mol
LogP1.81
Rot. Bonds8

About 5-(1-ethoxyethoxy)-2-methylidenepentanoic acid

5-(1-ethoxyethoxy)-2-methylidenepentanoic acid (PubChem CID 54436382) has the molecular formula C10H18O4 and a molecular weight of 202.25 g/mol. Its IUPAC name is 5-(1-ethoxyethoxy)-2-methylidenepentanoic acid.

Molecular Properties

Compound Name5-(1-ethoxyethoxy)-2-methylidenepentanoic acid
PubChem CID54436382
Molecular FormulaC10H18O4
Molecular Weight202.25 g/mol
Exact Mass202.12
IUPAC Name5-(1-ethoxyethoxy)-2-methylidenepentanoic acid
SMILESC=C(CCCOC(C)OCC)C(=O)O
InChIInChI=1S/C10H18O4/c1-4-13-9(3)14-7-5-6-8(2)10(11)12/h9H,2,4-7H2,1,3H3,(H,11,12)
InChIKeyWLAHVOUGEBHNJI-UHFFFAOYSA-N
XLogP1.81
TPSA55.76 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds8
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500202.25
LogP ≤ 51.81
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}, {'alert_name': 'het-C-het_not_in_ring', 'substructure': 'N/A'}, {'alert_name': 'Michael_acceptor_1', 'substructure': 'N/A'}

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Related Compounds

carbonic acid;1,1-diethoxyethane
CID 87827362
2-methylidene-5-pentoxypentanoic acid
CID 87899269
5-(2-ethoxyethoxy)-2-methylidenepentanoic acid;5-(2-methoxyethoxy)-2-methylidenepentanoic acid
CID 87657263
2-methylidene-4-[1-(2-prop-2-enoyloxyethoxy)ethoxy]butanoic acid
CID 175196518
2-methylidenehexanoic acid;zinc
CID 174824467
5-(dibutoxymethylsilyl)-2-methylidenepentanoic acid
CID 123867706
5-(5-ethoxy-2-methylidenepentanoyl)oxy-2-methylidenepentanoic acid
CID 91518371
1,1-diethoxyethane;stannane
CID 87529398
6-methyl-2-methylideneoctanoic acid
CID 54361308
ethane;2-methylidenehexanoic acid
CID 162072915
4-(2-ethoxyethoxy)-2-methylidenebutanoic acid
CID 22662596
2-methylidene-6-propoxyhexanoic acid
CID 54278794

Frequently Asked Questions

What is the IUPAC name of 5-(1-ethoxyethoxy)-2-methylidenepentanoic acid?
The IUPAC name of 5-(1-ethoxyethoxy)-2-methylidenepentanoic acid (CID 54436382) is 5-(1-ethoxyethoxy)-2-methylidenepentanoic acid.
What is the SMILES notation for 5-(1-ethoxyethoxy)-2-methylidenepentanoic acid?
The canonical SMILES for 5-(1-ethoxyethoxy)-2-methylidenepentanoic acid is C=C(CCCOC(C)OCC)C(=O)O.
What is the InChIKey of 5-(1-ethoxyethoxy)-2-methylidenepentanoic acid?
The InChIKey is WLAHVOUGEBHNJI-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H18O4/c1-4-13-9(3)14-7-5-6-8(2)10(11)12/h9H,2,4-7H2,1,3H3,(H,11,12).
What are the key properties of 5-(1-ethoxyethoxy)-2-methylidenepentanoic acid?
5-(1-ethoxyethoxy)-2-methylidenepentanoic acid has a molecular weight of 202.25 g/mol, XLogP of 1.81, 8 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 5-(1-ethoxyethoxy)-2-methylidenepentanoic acid is sourced from PubChem (CID 54436382), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).