(3Z,5E,7S)-7-phenylmethoxydodeca-3,5-dienal

C19H26O2 — CID 11449051

IUPAC(3Z,5E,7S)-7-phenylmethoxydodeca-3,5-dienal
SMILESCCCCC[C@@H](/C=C/C=C\CC=O)OCc1ccccc1
InChIInChI=1S/C19H26O2/c1-2-3-7-14-19(15-10-4-5-11-16-20)21-17-18-12-8-6-9-13-18/h4-6,8-10,12-13,15-16,19H,2-3,7,11,14,17H2,1H3/b5-4-,15-10+/t19-/m0/s1
InChIKeyVGXIJEIDYGQHFQ-LKYODJDHSA-N
MW286.42 g/mol
LogP4.85
Rot. Bonds11

About (3Z,5E,7S)-7-phenylmethoxydodeca-3,5-dienal

(3Z,5E,7S)-7-phenylmethoxydodeca-3,5-dienal (PubChem CID 11449051) has the molecular formula C19H26O2 and a molecular weight of 286.42 g/mol. Its IUPAC name is (3Z,5E,7S)-7-phenylmethoxydodeca-3,5-dienal.

Molecular Properties

Compound Name(3Z,5E,7S)-7-phenylmethoxydodeca-3,5-dienal
PubChem CID11449051
Molecular FormulaC19H26O2
Molecular Weight286.42 g/mol
Exact Mass286.19
IUPAC Name(3Z,5E,7S)-7-phenylmethoxydodeca-3,5-dienal
SMILESCCCCC[C@@H](/C=C/C=C\CC=O)OCc1ccccc1
InChIInChI=1S/C19H26O2/c1-2-3-7-14-19(15-10-4-5-11-16-20)21-17-18-12-8-6-9-13-18/h4-6,8-10,12-13,15-16,19H,2-3,7,11,14,17H2,1H3/b5-4-,15-10+/t19-/m0/s1
InChIKeyVGXIJEIDYGQHFQ-LKYODJDHSA-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': 'polyene', 'substructure': 'N/A'}

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Related Compounds

(3Z,5E,7S)-7-phenylmethoxydodeca-3,5-dien-1-ol
CID 11150405
(2E,4S,6Z)-4-phenylmethoxydodeca-2,6-dienal
CID 66560580
(4R,5S,8S)-5-ethenyl-4,8-bis(phenylmethoxy)tridec-6-enal
CID 86746684
(3R)-3-phenylmethoxyoctadecanal
CID 71606936
(Z,5R,9S)-10-methyl-5,9-bis(phenylmethoxy)undec-6-enal
CID 102264059
(2R)-3-hexadecoxy-2-phenylmethoxypropanal
CID 71407988
methyl (3R)-2-(2-oxoethyl)-3-phenylmethoxyoctadecanoate
CID 10895587
(E,2S,3R)-2,3-bis(phenylmethoxy)hept-4-enal
CID 102023534
1-phenylmethoxydecan-1-ol
CID 152749890
(E,3S,6S)-3-[(1R)-3,3-dimethoxy-1-phenylmethoxypropyl]-6-phenylmethoxyundec-4-en-1-ol
CID 11145338
(2R)-2-phenylmethoxyoctadecanoic acid
CID 102498485
oct-1-en-3-yloxymethoxymethylbenzene
CID 561879

Frequently Asked Questions

What is the IUPAC name of (3Z,5E,7S)-7-phenylmethoxydodeca-3,5-dienal?
The IUPAC name of (3Z,5E,7S)-7-phenylmethoxydodeca-3,5-dienal (CID 11449051) is (3Z,5E,7S)-7-phenylmethoxydodeca-3,5-dienal.
What is the SMILES notation for (3Z,5E,7S)-7-phenylmethoxydodeca-3,5-dienal?
The canonical SMILES for (3Z,5E,7S)-7-phenylmethoxydodeca-3,5-dienal is CCCCC[C@@H](/C=C/C=C\CC=O)OCc1ccccc1.
What is the InChIKey of (3Z,5E,7S)-7-phenylmethoxydodeca-3,5-dienal?
The InChIKey is VGXIJEIDYGQHFQ-LKYODJDHSA-N. The full InChI is InChI=1S/C19H26O2/c1-2-3-7-14-19(15-10-4-5-11-16-20)21-17-18-12-8-6-9-13-18/h4-6,8-10,12-13,15-16,19H,2-3,7,11,14,17H2,1H3/b5-4-,15-10+/t19-/m0/s1.
What are the key properties of (3Z,5E,7S)-7-phenylmethoxydodeca-3,5-dienal?
(3Z,5E,7S)-7-phenylmethoxydodeca-3,5-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 (3Z,5E,7S)-7-phenylmethoxydodeca-3,5-dienal is sourced from PubChem (CID 11449051), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).