[(E)-3,3-bis(prop-2-enoxy)prop-1-enyl]benzene

C15H18O2 — CID 24895615

IUPAC[(E)-3,3-bis(prop-2-enoxy)prop-1-enyl]benzene
SMILESC=CCOC(/C=C/c1ccccc1)OCC=C
InChIInChI=1S/C15H18O2/c1-3-12-16-15(17-13-4-2)11-10-14-8-6-5-7-9-14/h3-11,15H,1-2,12-13H2/b11-10+
InChIKeyXAKATUXJECCAPT-ZHACJKMWSA-N
MW230.31 g/mol
LogP3.43
Rot. Bonds8

About [(E)-3,3-bis(prop-2-enoxy)prop-1-enyl]benzene

[(E)-3,3-bis(prop-2-enoxy)prop-1-enyl]benzene (PubChem CID 24895615) has the molecular formula C15H18O2 and a molecular weight of 230.31 g/mol. Its IUPAC name is [(E)-3,3-bis(prop-2-enoxy)prop-1-enyl]benzene.

Molecular Properties

Compound Name[(E)-3,3-bis(prop-2-enoxy)prop-1-enyl]benzene
PubChem CID24895615
Molecular FormulaC15H18O2
Molecular Weight230.31 g/mol
Exact Mass230.13
IUPAC Name[(E)-3,3-bis(prop-2-enoxy)prop-1-enyl]benzene
SMILESC=CCOC(/C=C/c1ccccc1)OCC=C
InChIInChI=1S/C15H18O2/c1-3-12-16-15(17-13-4-2)11-10-14-8-6-5-7-9-14/h3-11,15H,1-2,12-13H2/b11-10+
InChIKeyXAKATUXJECCAPT-ZHACJKMWSA-N
XLogP3.43
TPSA18.46 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds8
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500230.31
LogP ≤ 53.43
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'het-C-het_not_in_ring', 'substructure': 'N/A'}, {'alert_name': 'isolated_alkene', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of [(E)-3,3-bis(prop-2-enoxy)prop-1-enyl]benzene?
The IUPAC name of [(E)-3,3-bis(prop-2-enoxy)prop-1-enyl]benzene (CID 24895615) is [(E)-3,3-bis(prop-2-enoxy)prop-1-enyl]benzene.
What is the SMILES notation for [(E)-3,3-bis(prop-2-enoxy)prop-1-enyl]benzene?
The canonical SMILES for [(E)-3,3-bis(prop-2-enoxy)prop-1-enyl]benzene is C=CCOC(/C=C/c1ccccc1)OCC=C.
What is the InChIKey of [(E)-3,3-bis(prop-2-enoxy)prop-1-enyl]benzene?
The InChIKey is XAKATUXJECCAPT-ZHACJKMWSA-N. The full InChI is InChI=1S/C15H18O2/c1-3-12-16-15(17-13-4-2)11-10-14-8-6-5-7-9-14/h3-11,15H,1-2,12-13H2/b11-10+.
What are the key properties of [(E)-3,3-bis(prop-2-enoxy)prop-1-enyl]benzene?
[(E)-3,3-bis(prop-2-enoxy)prop-1-enyl]benzene has a molecular weight of 230.31 g/mol, XLogP of 3.43, 8 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for [(E)-3,3-bis(prop-2-enoxy)prop-1-enyl]benzene is sourced from PubChem (CID 24895615), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).