(E)-5-[2-[2-(oxan-2-yloxy)ethoxy]ethoxy]pent-2-enoic acid

C14H24O6 — CID 139578710

IUPAC(E)-5-[2-[2-(oxan-2-yloxy)ethoxy]ethoxy]pent-2-enoic acid
SMILESO=C(O)/C=C/CCOCCOCCOC1CCCCO1
InChIInChI=1S/C14H24O6/c15-13(16)5-1-3-7-17-9-10-18-11-12-20-14-6-2-4-8-19-14/h1,5,14H,2-4,6-12H2,(H,15,16)/b5-1+
InChIKeyVKMRKSROJZGRHS-ORCRQEGFSA-N
MW288.34 g/mol
LogP1.59
Rot. Bonds11

About (E)-5-[2-[2-(oxan-2-yloxy)ethoxy]ethoxy]pent-2-enoic acid

(E)-5-[2-[2-(oxan-2-yloxy)ethoxy]ethoxy]pent-2-enoic acid (PubChem CID 139578710) has the molecular formula C14H24O6 and a molecular weight of 288.34 g/mol. Its IUPAC name is (E)-5-[2-[2-(oxan-2-yloxy)ethoxy]ethoxy]pent-2-enoic acid.

Molecular Properties

Compound Name(E)-5-[2-[2-(oxan-2-yloxy)ethoxy]ethoxy]pent-2-enoic acid
PubChem CID139578710
Molecular FormulaC14H24O6
Molecular Weight288.34 g/mol
Exact Mass288.16
IUPAC Name(E)-5-[2-[2-(oxan-2-yloxy)ethoxy]ethoxy]pent-2-enoic acid
SMILESO=C(O)/C=C/CCOCCOCCOC1CCCCO1
InChIInChI=1S/C14H24O6/c15-13(16)5-1-3-7-17-9-10-18-11-12-20-14-6-2-4-8-19-14/h1,5,14H,2-4,6-12H2,(H,15,16)/b5-1+
InChIKeyVKMRKSROJZGRHS-ORCRQEGFSA-N
XLogP1.59
TPSA74.22 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds11
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500288.34
LogP ≤ 51.59
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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)-14-(oxan-2-yloxy)tetradec-2-enoic acid
CID 71244577
ethyl (E)-5-(oxan-2-yloxy)pent-2-enoate
CID 15839787
2-[2-[2-[2-[2-[(2S)-oxan-2-yl]oxyethoxy]ethoxy]ethoxy]ethoxy]ethanol
CID 124522873
2-[2-[2-[2-[2-[2-[2-[2-(oxan-2-yloxy)ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethanol
CID 119058274
methyl 4-[(E)-4-[2-(oxan-2-yloxy)ethoxy]but-1-enyl]benzoate
CID 122582493
2-[2-[2-(oxolan-2-yloxy)ethoxy]ethoxy]oxolane
CID 70907878
2-[(Z)-4-iodobut-3-enoxy]oxane
CID 10423866
2-[2-[2-[3-[2-[2-(oxan-2-yloxy)ethoxy]ethoxy]-2,2-bis[2-[2-(oxan-2-yloxy)ethoxy]ethoxymethyl]propoxy]ethoxy]ethoxy]oxane
CID 11181986
bis[2-[2-[2-(oxan-2-yloxy)ethoxy]ethoxy]ethyl] 2,2-dimethylpropanedioate
CID 54155676
2-[2-[2-[2-[2-[2-[2-(2-chloroethoxy)ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]oxane
CID 10646224
methyl (E)-8-(oxan-2-yloxy)oct-2-enoate
CID 14937208
2-[(3Z,5E)-nona-3,5-dienoxy]oxane
CID 177457132

Frequently Asked Questions

What is the IUPAC name of (E)-5-[2-[2-(oxan-2-yloxy)ethoxy]ethoxy]pent-2-enoic acid?
The IUPAC name of (E)-5-[2-[2-(oxan-2-yloxy)ethoxy]ethoxy]pent-2-enoic acid (CID 139578710) is (E)-5-[2-[2-(oxan-2-yloxy)ethoxy]ethoxy]pent-2-enoic acid.
What is the SMILES notation for (E)-5-[2-[2-(oxan-2-yloxy)ethoxy]ethoxy]pent-2-enoic acid?
The canonical SMILES for (E)-5-[2-[2-(oxan-2-yloxy)ethoxy]ethoxy]pent-2-enoic acid is O=C(O)/C=C/CCOCCOCCOC1CCCCO1.
What is the InChIKey of (E)-5-[2-[2-(oxan-2-yloxy)ethoxy]ethoxy]pent-2-enoic acid?
The InChIKey is VKMRKSROJZGRHS-ORCRQEGFSA-N. The full InChI is InChI=1S/C14H24O6/c15-13(16)5-1-3-7-17-9-10-18-11-12-20-14-6-2-4-8-19-14/h1,5,14H,2-4,6-12H2,(H,15,16)/b5-1+.
What are the key properties of (E)-5-[2-[2-(oxan-2-yloxy)ethoxy]ethoxy]pent-2-enoic acid?
(E)-5-[2-[2-(oxan-2-yloxy)ethoxy]ethoxy]pent-2-enoic acid has a molecular weight of 288.34 g/mol, XLogP of 1.59, 11 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for (E)-5-[2-[2-(oxan-2-yloxy)ethoxy]ethoxy]pent-2-enoic acid is sourced from PubChem (CID 139578710), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).