(E)-5-(oxan-2-yloxy)pent-2-enoic acid

C10H16O4 — CID 59586995

IUPAC(E)-5-(oxan-2-yloxy)pent-2-enoic acid
SMILESO=C(O)/C=C/CCOC1CCCCO1
InChIInChI=1S/C10H16O4/c11-9(12)5-1-3-7-13-10-6-2-4-8-14-10/h1,5,10H,2-4,6-8H2,(H,11,12)/b5-1+
InChIKeyVDBCZKQFANRNSY-ORCRQEGFSA-N
MW200.23 g/mol
LogP1.56
Rot. Bonds5

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

(E)-5-(oxan-2-yloxy)pent-2-enoic acid (PubChem CID 59586995) has the molecular formula C10H16O4 and a molecular weight of 200.23 g/mol. Its IUPAC name is (E)-5-(oxan-2-yloxy)pent-2-enoic acid.

Molecular Properties

Compound Name(E)-5-(oxan-2-yloxy)pent-2-enoic acid
PubChem CID59586995
Molecular FormulaC10H16O4
Molecular Weight200.23 g/mol
Exact Mass200.10
IUPAC Name(E)-5-(oxan-2-yloxy)pent-2-enoic acid
SMILESO=C(O)/C=C/CCOC1CCCCO1
InChIInChI=1S/C10H16O4/c11-9(12)5-1-3-7-13-10-6-2-4-8-14-10/h1,5,10H,2-4,6-8H2,(H,11,12)/b5-1+
InChIKeyVDBCZKQFANRNSY-ORCRQEGFSA-N
XLogP1.56
TPSA55.76 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500200.23
LogP ≤ 51.56
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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Frequently Asked Questions

What is the IUPAC name of (E)-5-(oxan-2-yloxy)pent-2-enoic acid?
The IUPAC name of (E)-5-(oxan-2-yloxy)pent-2-enoic acid (CID 59586995) is (E)-5-(oxan-2-yloxy)pent-2-enoic acid.
What is the SMILES notation for (E)-5-(oxan-2-yloxy)pent-2-enoic acid?
The canonical SMILES for (E)-5-(oxan-2-yloxy)pent-2-enoic acid is O=C(O)/C=C/CCOC1CCCCO1.
What is the InChIKey of (E)-5-(oxan-2-yloxy)pent-2-enoic acid?
The InChIKey is VDBCZKQFANRNSY-ORCRQEGFSA-N. The full InChI is InChI=1S/C10H16O4/c11-9(12)5-1-3-7-13-10-6-2-4-8-14-10/h1,5,10H,2-4,6-8H2,(H,11,12)/b5-1+.
What are the key properties of (E)-5-(oxan-2-yloxy)pent-2-enoic acid?
(E)-5-(oxan-2-yloxy)pent-2-enoic acid has a molecular weight of 200.23 g/mol, XLogP of 1.56, 5 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for (E)-5-(oxan-2-yloxy)pent-2-enoic acid is sourced from PubChem (CID 59586995), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).