(E)-3-[(E)-3-but-3-ynoxypent-2-enoxy]-1-methoxypent-2-ene

C15H24O3 — CID 135074241

IUPAC(E)-3-[(E)-3-but-3-ynoxypent-2-enoxy]-1-methoxypent-2-ene
SMILESC#CCCO/C(=C/CO/C(=C/COC)CC)CC
InChIInChI=1S/C15H24O3/c1-5-8-11-17-15(7-3)10-13-18-14(6-2)9-12-16-4/h1,9-10H,6-8,11-13H2,2-4H3/b14-9+,15-10+
InChIKeyBZFSWUTWGKBKEB-AOEKMSOUSA-N
MW252.35 g/mol
LogP3.28
Rot. Bonds10

About (E)-3-[(E)-3-but-3-ynoxypent-2-enoxy]-1-methoxypent-2-ene

(E)-3-[(E)-3-but-3-ynoxypent-2-enoxy]-1-methoxypent-2-ene (PubChem CID 135074241) has the molecular formula C15H24O3 and a molecular weight of 252.35 g/mol. Its IUPAC name is (E)-3-[(E)-3-but-3-ynoxypent-2-enoxy]-1-methoxypent-2-ene.

Molecular Properties

Compound Name(E)-3-[(E)-3-but-3-ynoxypent-2-enoxy]-1-methoxypent-2-ene
PubChem CID135074241
Molecular FormulaC15H24O3
Molecular Weight252.35 g/mol
Exact Mass252.17
IUPAC Name(E)-3-[(E)-3-but-3-ynoxypent-2-enoxy]-1-methoxypent-2-ene
SMILESC#CCCO/C(=C/CO/C(=C/COC)CC)CC
InChIInChI=1S/C15H24O3/c1-5-8-11-17-15(7-3)10-13-18-14(6-2)9-12-16-4/h1,9-10H,6-8,11-13H2,2-4H3/b14-9+,15-10+
InChIKeyBZFSWUTWGKBKEB-AOEKMSOUSA-N
XLogP3.28
TPSA27.69 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds10
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500252.35
LogP ≤ 53.28
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'acyclic_C=C-O', 'substructure': 'N/A'}, {'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}, {'alert_name': 'triple_bond', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of (E)-3-[(E)-3-but-3-ynoxypent-2-enoxy]-1-methoxypent-2-ene?
The IUPAC name of (E)-3-[(E)-3-but-3-ynoxypent-2-enoxy]-1-methoxypent-2-ene (CID 135074241) is (E)-3-[(E)-3-but-3-ynoxypent-2-enoxy]-1-methoxypent-2-ene.
What is the SMILES notation for (E)-3-[(E)-3-but-3-ynoxypent-2-enoxy]-1-methoxypent-2-ene?
The canonical SMILES for (E)-3-[(E)-3-but-3-ynoxypent-2-enoxy]-1-methoxypent-2-ene is C#CCCO/C(=C/CO/C(=C/COC)CC)CC.
What is the InChIKey of (E)-3-[(E)-3-but-3-ynoxypent-2-enoxy]-1-methoxypent-2-ene?
The InChIKey is BZFSWUTWGKBKEB-AOEKMSOUSA-N. The full InChI is InChI=1S/C15H24O3/c1-5-8-11-17-15(7-3)10-13-18-14(6-2)9-12-16-4/h1,9-10H,6-8,11-13H2,2-4H3/b14-9+,15-10+.
What are the key properties of (E)-3-[(E)-3-but-3-ynoxypent-2-enoxy]-1-methoxypent-2-ene?
(E)-3-[(E)-3-but-3-ynoxypent-2-enoxy]-1-methoxypent-2-ene has a molecular weight of 252.35 g/mol, XLogP of 3.28, 10 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for (E)-3-[(E)-3-but-3-ynoxypent-2-enoxy]-1-methoxypent-2-ene is sourced from PubChem (CID 135074241), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).