(2E,4E)-6-phenylmethoxyhexa-2,4-dienal

C13H14O2 — CID 101487921

IUPAC(2E,4E)-6-phenylmethoxyhexa-2,4-dienal
SMILESO=C/C=C/C=C/COCc1ccccc1
InChIInChI=1S/C13H14O2/c14-10-6-1-2-7-11-15-12-13-8-4-3-5-9-13/h1-10H,11-12H2/b6-1+,7-2+
InChIKeyOAMJMVCUMFECNP-LWBLAMGCSA-N
MW202.25 g/mol
LogP2.51
Rot. Bonds6

About (2E,4E)-6-phenylmethoxyhexa-2,4-dienal

(2E,4E)-6-phenylmethoxyhexa-2,4-dienal (PubChem CID 101487921) has the molecular formula C13H14O2 and a molecular weight of 202.25 g/mol. Its IUPAC name is (2E,4E)-6-phenylmethoxyhexa-2,4-dienal.

Molecular Properties

Compound Name(2E,4E)-6-phenylmethoxyhexa-2,4-dienal
PubChem CID101487921
Molecular FormulaC13H14O2
Molecular Weight202.25 g/mol
Exact Mass202.10
IUPAC Name(2E,4E)-6-phenylmethoxyhexa-2,4-dienal
SMILESO=C/C=C/C=C/COCc1ccccc1
InChIInChI=1S/C13H14O2/c14-10-6-1-2-7-11-15-12-13-8-4-3-5-9-13/h1-10H,11-12H2/b6-1+,7-2+
InChIKeyOAMJMVCUMFECNP-LWBLAMGCSA-N
XLogP2.51
TPSA26.30 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds6
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500202.25
LogP ≤ 52.51
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'aldehyde', 'substructure': 'N/A'}, {'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}, {'alert_name': 'Michael_acceptor_1', 'substructure': 'N/A'}, {'alert_name': 'polyene', 'substructure': 'N/A'}

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Related Compounds

4-phenylmethoxybut-2-enal
CID 56616610
(2E,7E,9E)-11-phenylmethoxyundeca-2,7,9-trienal
CID 11818089
(Z)-4-phenylmethoxybut-2-enal;(Z)-4-phenylmethoxybut-2-en-1-ol
CID 165000791
5-phenylmethoxypent-3-enal
CID 54324259
[(E)-4-phenylbut-2-enoxy]methylbenzene
CID 20826226
(E)-5-phenylmethoxypent-3-en-2-one
CID 11095410
[(Z)-3-chloroprop-2-enoxy]methylbenzene
CID 131246507
[(E)-4-iodobut-2-enoxy]methylbenzene
CID 11055319
ethyl (2Z,4E)-6-phenylmethoxyhexa-2,4-dienoate
CID 11499739
[(Z)-4-prop-2-enoxybut-2-enoxy]methylbenzene
CID 11053131
[(E)-5-phenylmethoxypent-2-enoxy]methylbenzene
CID 10333986
4-phenylmethoxybut-2-enyl methanesulfonate
CID 85381978

Frequently Asked Questions

What is the IUPAC name of (2E,4E)-6-phenylmethoxyhexa-2,4-dienal?
The IUPAC name of (2E,4E)-6-phenylmethoxyhexa-2,4-dienal (CID 101487921) is (2E,4E)-6-phenylmethoxyhexa-2,4-dienal.
What is the SMILES notation for (2E,4E)-6-phenylmethoxyhexa-2,4-dienal?
The canonical SMILES for (2E,4E)-6-phenylmethoxyhexa-2,4-dienal is O=C/C=C/C=C/COCc1ccccc1.
What is the InChIKey of (2E,4E)-6-phenylmethoxyhexa-2,4-dienal?
The InChIKey is OAMJMVCUMFECNP-LWBLAMGCSA-N. The full InChI is InChI=1S/C13H14O2/c14-10-6-1-2-7-11-15-12-13-8-4-3-5-9-13/h1-10H,11-12H2/b6-1+,7-2+.
What are the key properties of (2E,4E)-6-phenylmethoxyhexa-2,4-dienal?
(2E,4E)-6-phenylmethoxyhexa-2,4-dienal has a molecular weight of 202.25 g/mol, XLogP of 2.51, 6 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for (2E,4E)-6-phenylmethoxyhexa-2,4-dienal is sourced from PubChem (CID 101487921), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).