4-methyl-5-[2-(2-propoxyethoxy)ethoxy]pent-2-enoic acid

C13H24O5 — CID 91252711

IUPAC4-methyl-5-[2-(2-propoxyethoxy)ethoxy]pent-2-enoic acid
SMILESCCCOCCOCCOCC(C)C=CC(=O)O
InChIInChI=1S/C13H24O5/c1-3-6-16-7-8-17-9-10-18-11-12(2)4-5-13(14)15/h4-5,12H,3,6-11H2,1-2H3,(H,14,15)
InChIKeyBWQOEFGUXIGHON-UHFFFAOYSA-N
MW260.33 g/mol
LogP1.72
Rot. Bonds12

About 4-methyl-5-[2-(2-propoxyethoxy)ethoxy]pent-2-enoic acid

4-methyl-5-[2-(2-propoxyethoxy)ethoxy]pent-2-enoic acid (PubChem CID 91252711) has the molecular formula C13H24O5 and a molecular weight of 260.33 g/mol. Its IUPAC name is 4-methyl-5-[2-(2-propoxyethoxy)ethoxy]pent-2-enoic acid.

Molecular Properties

Compound Name4-methyl-5-[2-(2-propoxyethoxy)ethoxy]pent-2-enoic acid
PubChem CID91252711
Molecular FormulaC13H24O5
Molecular Weight260.33 g/mol
Exact Mass260.16
IUPAC Name4-methyl-5-[2-(2-propoxyethoxy)ethoxy]pent-2-enoic acid
SMILESCCCOCCOCCOCC(C)C=CC(=O)O
InChIInChI=1S/C13H24O5/c1-3-6-16-7-8-17-9-10-18-11-12(2)4-5-13(14)15/h4-5,12H,3,6-11H2,1-2H3,(H,14,15)
InChIKeyBWQOEFGUXIGHON-UHFFFAOYSA-N
XLogP1.72
TPSA64.99 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds12
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500260.33
LogP ≤ 51.72
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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

(E,4R)-5-[(2S)-2-[(E,2R)-4-carboxy-2-methylbut-3-enoxy]-3-[(2S)-2-hydroxypropoxy]propoxy]-4-methylpent-2-enoic acid
CID 124934743
(Z)-4-oxo-6-propoxyhex-2-enoic acid
CID 134452151
but-2-enedioic acid;1-[2-[2-[2-[2-[2-[2-(2-hydroxyethoxy)ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]propan-2-ol
CID 163538655
(Z,4S)-4-methyl-5-(morpholine-4-carbonyloxy)pent-2-enoic acid
CID 144653695
(E)-4-methyltetradec-2-enoic acid
CID 173352049
(E)-4-methylhex-2-enedioic acid
CID 102597366
5-ethoxy-4-methyl-5-oxopent-2-enoic acid
CID 54460089
propanoic acid;1-propoxypropan-2-ol
CID 87505048
acetic acid;ethane-1,2-diol;1-propoxypropane
CID 87173369
2-fluoro-2-(2-propoxyethoxy)acetic acid
CID 79357516
4-methyl-1-[2-(2-propoxyethoxy)ethoxy]pentan-3-one
CID 140823499
propyl 2-methyl-3-propoxypropanoate
CID 54511577

Frequently Asked Questions

What is the IUPAC name of 4-methyl-5-[2-(2-propoxyethoxy)ethoxy]pent-2-enoic acid?
The IUPAC name of 4-methyl-5-[2-(2-propoxyethoxy)ethoxy]pent-2-enoic acid (CID 91252711) is 4-methyl-5-[2-(2-propoxyethoxy)ethoxy]pent-2-enoic acid.
What is the SMILES notation for 4-methyl-5-[2-(2-propoxyethoxy)ethoxy]pent-2-enoic acid?
The canonical SMILES for 4-methyl-5-[2-(2-propoxyethoxy)ethoxy]pent-2-enoic acid is CCCOCCOCCOCC(C)C=CC(=O)O.
What is the InChIKey of 4-methyl-5-[2-(2-propoxyethoxy)ethoxy]pent-2-enoic acid?
The InChIKey is BWQOEFGUXIGHON-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H24O5/c1-3-6-16-7-8-17-9-10-18-11-12(2)4-5-13(14)15/h4-5,12H,3,6-11H2,1-2H3,(H,14,15).
What are the key properties of 4-methyl-5-[2-(2-propoxyethoxy)ethoxy]pent-2-enoic acid?
4-methyl-5-[2-(2-propoxyethoxy)ethoxy]pent-2-enoic acid has a molecular weight of 260.33 g/mol, XLogP of 1.72, 12 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 4-methyl-5-[2-(2-propoxyethoxy)ethoxy]pent-2-enoic acid is sourced from PubChem (CID 91252711), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).