(4Z)-3-[(E)-2-but-2-ynoxyethenyl]-4-ethylideneoxolane

C12H16O2 — CID 11367532

IUPAC(4Z)-3-[(E)-2-but-2-ynoxyethenyl]-4-ethylideneoxolane
SMILESCC#CCO/C=C/C1COC/C1=C\C
InChIInChI=1S/C12H16O2/c1-3-5-7-13-8-6-12-10-14-9-11(12)4-2/h4,6,8,12H,7,9-10H2,1-2H3/b8-6+,11-4+
InChIKeyAQMPHYBRSXBOIG-CYAHAEIBSA-N
MW192.26 g/mol
LogP2.13
Rot. Bonds3

About (4Z)-3-[(E)-2-but-2-ynoxyethenyl]-4-ethylideneoxolane

(4Z)-3-[(E)-2-but-2-ynoxyethenyl]-4-ethylideneoxolane (PubChem CID 11367532) has the molecular formula C12H16O2 and a molecular weight of 192.26 g/mol. Its IUPAC name is (4Z)-3-[(E)-2-but-2-ynoxyethenyl]-4-ethylideneoxolane.

Molecular Properties

Compound Name(4Z)-3-[(E)-2-but-2-ynoxyethenyl]-4-ethylideneoxolane
PubChem CID11367532
Molecular FormulaC12H16O2
Molecular Weight192.26 g/mol
Exact Mass192.12
IUPAC Name(4Z)-3-[(E)-2-but-2-ynoxyethenyl]-4-ethylideneoxolane
SMILESCC#CCO/C=C/C1COC/C1=C\C
InChIInChI=1S/C12H16O2/c1-3-5-7-13-8-6-12-10-14-9-11(12)4-2/h4,6,8,12H,7,9-10H2,1-2H3/b8-6+,11-4+
InChIKeyAQMPHYBRSXBOIG-CYAHAEIBSA-N
XLogP2.13
TPSA18.46 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500192.26
LogP ≤ 52.13
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of (4Z)-3-[(E)-2-but-2-ynoxyethenyl]-4-ethylideneoxolane?
The IUPAC name of (4Z)-3-[(E)-2-but-2-ynoxyethenyl]-4-ethylideneoxolane (CID 11367532) is (4Z)-3-[(E)-2-but-2-ynoxyethenyl]-4-ethylideneoxolane.
What is the SMILES notation for (4Z)-3-[(E)-2-but-2-ynoxyethenyl]-4-ethylideneoxolane?
The canonical SMILES for (4Z)-3-[(E)-2-but-2-ynoxyethenyl]-4-ethylideneoxolane is CC#CCO/C=C/C1COC/C1=C\C.
What is the InChIKey of (4Z)-3-[(E)-2-but-2-ynoxyethenyl]-4-ethylideneoxolane?
The InChIKey is AQMPHYBRSXBOIG-CYAHAEIBSA-N. The full InChI is InChI=1S/C12H16O2/c1-3-5-7-13-8-6-12-10-14-9-11(12)4-2/h4,6,8,12H,7,9-10H2,1-2H3/b8-6+,11-4+.
What are the key properties of (4Z)-3-[(E)-2-but-2-ynoxyethenyl]-4-ethylideneoxolane?
(4Z)-3-[(E)-2-but-2-ynoxyethenyl]-4-ethylideneoxolane has a molecular weight of 192.26 g/mol, XLogP of 2.13, 3 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for (4Z)-3-[(E)-2-but-2-ynoxyethenyl]-4-ethylideneoxolane is sourced from PubChem (CID 11367532), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).