(2E,4E)-2-ethenyl-5-phenylmethoxyhexa-2,4-dienal

C15H16O2 — CID 89233622

IUPAC(2E,4E)-2-ethenyl-5-phenylmethoxyhexa-2,4-dienal
SMILESC=C/C(C=O)=C\C=C(/C)OCc1ccccc1
InChIInChI=1S/C15H16O2/c1-3-14(11-16)10-9-13(2)17-12-15-7-5-4-6-8-15/h3-11H,1,12H2,2H3/b13-9+,14-10+
InChIKeyLIEMNMBBXBYDIH-UTLPMFLDSA-N
MW228.29 g/mol
LogP3.42
Rot. Bonds6

About (2E,4E)-2-ethenyl-5-phenylmethoxyhexa-2,4-dienal

(2E,4E)-2-ethenyl-5-phenylmethoxyhexa-2,4-dienal (PubChem CID 89233622) has the molecular formula C15H16O2 and a molecular weight of 228.29 g/mol. Its IUPAC name is (2E,4E)-2-ethenyl-5-phenylmethoxyhexa-2,4-dienal.

Molecular Properties

Compound Name(2E,4E)-2-ethenyl-5-phenylmethoxyhexa-2,4-dienal
PubChem CID89233622
Molecular FormulaC15H16O2
Molecular Weight228.29 g/mol
Exact Mass228.12
IUPAC Name(2E,4E)-2-ethenyl-5-phenylmethoxyhexa-2,4-dienal
SMILESC=C/C(C=O)=C\C=C(/C)OCc1ccccc1
InChIInChI=1S/C15H16O2/c1-3-14(11-16)10-9-13(2)17-12-15-7-5-4-6-8-15/h3-11H,1,12H2,2H3/b13-9+,14-10+
InChIKeyLIEMNMBBXBYDIH-UTLPMFLDSA-N
XLogP3.42
TPSA26.30 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds6
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500228.29
LogP ≤ 53.42
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'acyclic_C=C-O', 'substructure': 'N/A'}, {'alert_name': 'aldehyde', 'substructure': 'N/A'}, {'alert_name': 'Michael_acceptor_1', 'substructure': 'N/A'}, {'alert_name': 'polyene', 'substructure': 'N/A'}

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Related Compounds

(Z)-3-phenylmethoxybut-2-enoic acid
CID 101194164
(Z)-2-phenylmethoxybut-2-enal
CID 155092165
benzyl hydrogen carbonate;prop-2-enoic acid
CID 68849942
benzyl 2-methylprop-2-enoate;prop-2-enamide
CID 174871125
benzyl acetate
CID 8785
3-phenylmethoxybut-2-en-2-yloxymethylbenzene
CID 86006666
(E)-4-phenylmethoxypent-3-en-1-amine
CID 166832926
benzyl N-methylprop-2-enimidate
CID 123917828
benzyl (2E)-2-ethenylpenta-2,4-dienoate
CID 145309058
(E)-3-phenylmethoxypent-2-enal
CID 10821515
benzyl prop-2-enoate;but-2-enedioic acid
CID 70273802
benzyl acetate;molecular nitrogen
CID 174861862

Frequently Asked Questions

What is the IUPAC name of (2E,4E)-2-ethenyl-5-phenylmethoxyhexa-2,4-dienal?
The IUPAC name of (2E,4E)-2-ethenyl-5-phenylmethoxyhexa-2,4-dienal (CID 89233622) is (2E,4E)-2-ethenyl-5-phenylmethoxyhexa-2,4-dienal.
What is the SMILES notation for (2E,4E)-2-ethenyl-5-phenylmethoxyhexa-2,4-dienal?
The canonical SMILES for (2E,4E)-2-ethenyl-5-phenylmethoxyhexa-2,4-dienal is C=C/C(C=O)=C\C=C(/C)OCc1ccccc1.
What is the InChIKey of (2E,4E)-2-ethenyl-5-phenylmethoxyhexa-2,4-dienal?
The InChIKey is LIEMNMBBXBYDIH-UTLPMFLDSA-N. The full InChI is InChI=1S/C15H16O2/c1-3-14(11-16)10-9-13(2)17-12-15-7-5-4-6-8-15/h3-11H,1,12H2,2H3/b13-9+,14-10+.
What are the key properties of (2E,4E)-2-ethenyl-5-phenylmethoxyhexa-2,4-dienal?
(2E,4E)-2-ethenyl-5-phenylmethoxyhexa-2,4-dienal has a molecular weight of 228.29 g/mol, XLogP of 3.42, 6 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for (2E,4E)-2-ethenyl-5-phenylmethoxyhexa-2,4-dienal is sourced from PubChem (CID 89233622), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).