2-methyl-5-(2-propoxyethoxy)pent-2-enoic acid

C11H20O4 — CID 123853620

IUPAC2-methyl-5-(2-propoxyethoxy)pent-2-enoic acid
SMILESCCCOCCOCCC=C(C)C(=O)O
InChIInChI=1S/C11H20O4/c1-3-6-14-8-9-15-7-4-5-10(2)11(12)13/h5H,3-4,6-9H2,1-2H3,(H,12,13)
InChIKeyRBIILEWYSCCDMI-UHFFFAOYSA-N
MW216.28 g/mol
LogP1.85
Rot. Bonds9

About 2-methyl-5-(2-propoxyethoxy)pent-2-enoic acid

2-methyl-5-(2-propoxyethoxy)pent-2-enoic acid (PubChem CID 123853620) has the molecular formula C11H20O4 and a molecular weight of 216.28 g/mol. Its IUPAC name is 2-methyl-5-(2-propoxyethoxy)pent-2-enoic acid.

Molecular Properties

Compound Name2-methyl-5-(2-propoxyethoxy)pent-2-enoic acid
PubChem CID123853620
Molecular FormulaC11H20O4
Molecular Weight216.28 g/mol
Exact Mass216.14
IUPAC Name2-methyl-5-(2-propoxyethoxy)pent-2-enoic acid
SMILESCCCOCCOCCC=C(C)C(=O)O
InChIInChI=1S/C11H20O4/c1-3-6-14-8-9-15-7-4-5-10(2)11(12)13/h5H,3-4,6-9H2,1-2H3,(H,12,13)
InChIKeyRBIILEWYSCCDMI-UHFFFAOYSA-N
XLogP1.85
TPSA55.76 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds9
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500216.28
LogP ≤ 51.85
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

2-methyl-7-propoxyhept-2-enoic acid
CID 123969455
2-methyl-5-pentoxypent-2-enoic acid
CID 173186869
5-[2-(dimethylamino)ethoxy]-2-methylpent-2-enoic acid
CID 173097530
2-methyl-5-pent-4-enoxypent-2-enoic acid
CID 90804613
2-methyl-5-octa-2,4-dienoxypent-2-enoic acid
CID 173011527
2-methylhex-2-enoic acid;tetrahydrofluoride
CID 174467468
(E)-6-ethoxy-2-methylhex-2-enoic acid
CID 87120210
2-methyl-5-sulfanyloxypent-2-enoic acid
CID 57297654
5-(2-decyltetradecoxy)-2-methylpent-2-enoic acid
CID 173008907
2-cyano-5-propoxypent-2-enoic acid
CID 90825047
5-[2-(1,3-dioxolan-2-yl)ethoxy]-2-methylpent-2-enoic acid
CID 67828627
(E)-5-(2-ethoxyethoxy)-2-methylpent-2-enamide
CID 87862268

Frequently Asked Questions

What is the IUPAC name of 2-methyl-5-(2-propoxyethoxy)pent-2-enoic acid?
The IUPAC name of 2-methyl-5-(2-propoxyethoxy)pent-2-enoic acid (CID 123853620) is 2-methyl-5-(2-propoxyethoxy)pent-2-enoic acid.
What is the SMILES notation for 2-methyl-5-(2-propoxyethoxy)pent-2-enoic acid?
The canonical SMILES for 2-methyl-5-(2-propoxyethoxy)pent-2-enoic acid is CCCOCCOCCC=C(C)C(=O)O.
What is the InChIKey of 2-methyl-5-(2-propoxyethoxy)pent-2-enoic acid?
The InChIKey is RBIILEWYSCCDMI-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H20O4/c1-3-6-14-8-9-15-7-4-5-10(2)11(12)13/h5H,3-4,6-9H2,1-2H3,(H,12,13).
What are the key properties of 2-methyl-5-(2-propoxyethoxy)pent-2-enoic acid?
2-methyl-5-(2-propoxyethoxy)pent-2-enoic acid has a molecular weight of 216.28 g/mol, XLogP of 1.85, 9 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-methyl-5-(2-propoxyethoxy)pent-2-enoic acid is sourced from PubChem (CID 123853620), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).