(2E,4S,6Z)-4-phenylmethoxydodeca-2,6-dienal

C19H26O2 — CID 66560580

IUPAC(2E,4S,6Z)-4-phenylmethoxydodeca-2,6-dienal
SMILESCCCCC/C=C\C[C@@H](/C=C/C=O)OCc1ccccc1
InChIInChI=1S/C19H26O2/c1-2-3-4-5-6-10-14-19(15-11-16-20)21-17-18-12-8-7-9-13-18/h6-13,15-16,19H,2-5,14,17H2,1H3/b10-6-,15-11+/t19-/m0/s1
InChIKeyGDOXVRNHNKLTDQ-LEVMQWBGSA-N
MW286.42 g/mol
LogP4.85
Rot. Bonds11

About (2E,4S,6Z)-4-phenylmethoxydodeca-2,6-dienal

(2E,4S,6Z)-4-phenylmethoxydodeca-2,6-dienal (PubChem CID 66560580) has the molecular formula C19H26O2 and a molecular weight of 286.42 g/mol. Its IUPAC name is (2E,4S,6Z)-4-phenylmethoxydodeca-2,6-dienal.

Molecular Properties

Compound Name(2E,4S,6Z)-4-phenylmethoxydodeca-2,6-dienal
PubChem CID66560580
Molecular FormulaC19H26O2
Molecular Weight286.42 g/mol
Exact Mass286.19
IUPAC Name(2E,4S,6Z)-4-phenylmethoxydodeca-2,6-dienal
SMILESCCCCC/C=C\C[C@@H](/C=C/C=O)OCc1ccccc1
InChIInChI=1S/C19H26O2/c1-2-3-4-5-6-10-14-19(15-11-16-20)21-17-18-12-8-7-9-13-18/h6-13,15-16,19H,2-5,14,17H2,1H3/b10-6-,15-11+/t19-/m0/s1
InChIKeyGDOXVRNHNKLTDQ-LEVMQWBGSA-N
XLogP4.85
TPSA26.30 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds11
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500286.42
LogP ≤ 54.85
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': 'isolated_alkene', 'substructure': 'N/A'}, {'alert_name': 'Michael_acceptor_1', 'substructure': 'N/A'}

Analyze (2E,4S,6Z)-4-phenylmethoxydodeca-2,6-dienal with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

(3Z,5E,7S)-7-phenylmethoxydodeca-3,5-dienal
CID 11449051
(E)-4-phenylmethoxypent-2-enal
CID 59042461
(3Z,5E,7S)-7-phenylmethoxydodeca-3,5-dien-1-ol
CID 11150405
(E,2R,3R)-2-phenylmethoxyoctadec-4-ene-1,3-diol
CID 11047429
(E)-8-phenylmethoxyhexadec-2-en-1-ol
CID 68638312
[(E)-hexacos-15-enoxy]methylbenzene
CID 58900689
undec-4-enoxymethylbenzene
CID 158781580
[(Z)-pentadec-6-enoxy]methylbenzene
CID 10591538
(2R)-3-hexadecoxy-2-phenylmethoxypropanal
CID 71407988
benzyl (2E,4R,5R,6E)-4,5-bis(phenylmethoxy)heptadeca-2,6-dienoate
CID 11180597
(3R)-3-phenylmethoxyoctadecanal
CID 71606936
carbonic acid;12-hydroperoxyicosa-5,8,10,14-tetraene
CID 88652465

Frequently Asked Questions

What is the IUPAC name of (2E,4S,6Z)-4-phenylmethoxydodeca-2,6-dienal?
The IUPAC name of (2E,4S,6Z)-4-phenylmethoxydodeca-2,6-dienal (CID 66560580) is (2E,4S,6Z)-4-phenylmethoxydodeca-2,6-dienal.
What is the SMILES notation for (2E,4S,6Z)-4-phenylmethoxydodeca-2,6-dienal?
The canonical SMILES for (2E,4S,6Z)-4-phenylmethoxydodeca-2,6-dienal is CCCCC/C=C\C[C@@H](/C=C/C=O)OCc1ccccc1.
What is the InChIKey of (2E,4S,6Z)-4-phenylmethoxydodeca-2,6-dienal?
The InChIKey is GDOXVRNHNKLTDQ-LEVMQWBGSA-N. The full InChI is InChI=1S/C19H26O2/c1-2-3-4-5-6-10-14-19(15-11-16-20)21-17-18-12-8-7-9-13-18/h6-13,15-16,19H,2-5,14,17H2,1H3/b10-6-,15-11+/t19-/m0/s1.
What are the key properties of (2E,4S,6Z)-4-phenylmethoxydodeca-2,6-dienal?
(2E,4S,6Z)-4-phenylmethoxydodeca-2,6-dienal has a molecular weight of 286.42 g/mol, XLogP of 4.85, 11 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for (2E,4S,6Z)-4-phenylmethoxydodeca-2,6-dienal is sourced from PubChem (CID 66560580), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).