(Z,2S)-2-phenylnon-6-enal

C15H20O — CID 135041742

IUPAC(Z,2S)-2-phenylnon-6-enal
SMILESCC/C=C\CCC[C@H](C=O)c1ccccc1
InChIInChI=1S/C15H20O/c1-2-3-4-5-7-12-15(13-16)14-10-8-6-9-11-14/h3-4,6,8-11,13,15H,2,5,7,12H2,1H3/b4-3-/t15-/m1/s1
InChIKeyMFXFJLGOXALMNB-ABCZVMIZSA-N
MW216.32 g/mol
LogP4.11
Rot. Bonds7

About (Z,2S)-2-phenylnon-6-enal

(Z,2S)-2-phenylnon-6-enal (PubChem CID 135041742) has the molecular formula C15H20O and a molecular weight of 216.32 g/mol. Its IUPAC name is (Z,2S)-2-phenylnon-6-enal.

Molecular Properties

Compound Name(Z,2S)-2-phenylnon-6-enal
PubChem CID135041742
Molecular FormulaC15H20O
Molecular Weight216.32 g/mol
Exact Mass216.15
IUPAC Name(Z,2S)-2-phenylnon-6-enal
SMILESCC/C=C\CCC[C@H](C=O)c1ccccc1
InChIInChI=1S/C15H20O/c1-2-3-4-5-7-12-15(13-16)14-10-8-6-9-11-14/h3-4,6,8-11,13,15H,2,5,7,12H2,1H3/b4-3-/t15-/m1/s1
InChIKeyMFXFJLGOXALMNB-ABCZVMIZSA-N
XLogP4.11
TPSA17.07 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds7
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500216.32
LogP ≤ 54.11
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 101

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'}

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Related Compounds

(9Z,12Z,15Z)-2-phenyloctadeca-9,12,15-trienoic acid
CID 141172455
[(E)-8-phenyldodec-6-en-5-yl]benzene
CID 14267465
[(3E,7Z)-deca-3,7-dien-2-yl]benzene
CID 123551652
[(Z)-non-6-en-1-yn-3-yl]benzene
CID 155708108
3-(dimethylamino)-2-phenylpropanal
CID 174693852
hex-3-enyl(triphenyl)phosphanium
CID 73026873
[(Z)-hex-3-enyl]-triphenylphosphanium
CID 10993587
5-phenylheptanal
CID 22053894
5-methyl-2,6-diphenylhex-5-enal
CID 173438897
heptatriaconta-9,28-dien-19-ylbenzene
CID 173349242
methyl 6-oxo-2,5-diphenylhexanoate
CID 175142316
(1-but-3-enyl-10-phenyldodec-5-enyl)benzene
CID 173200761

Frequently Asked Questions

What is the IUPAC name of (Z,2S)-2-phenylnon-6-enal?
The IUPAC name of (Z,2S)-2-phenylnon-6-enal (CID 135041742) is (Z,2S)-2-phenylnon-6-enal.
What is the SMILES notation for (Z,2S)-2-phenylnon-6-enal?
The canonical SMILES for (Z,2S)-2-phenylnon-6-enal is CC/C=C\CCC[C@H](C=O)c1ccccc1.
What is the InChIKey of (Z,2S)-2-phenylnon-6-enal?
The InChIKey is MFXFJLGOXALMNB-ABCZVMIZSA-N. The full InChI is InChI=1S/C15H20O/c1-2-3-4-5-7-12-15(13-16)14-10-8-6-9-11-14/h3-4,6,8-11,13,15H,2,5,7,12H2,1H3/b4-3-/t15-/m1/s1.
What are the key properties of (Z,2S)-2-phenylnon-6-enal?
(Z,2S)-2-phenylnon-6-enal has a molecular weight of 216.32 g/mol, XLogP of 4.11, 7 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for (Z,2S)-2-phenylnon-6-enal is sourced from PubChem (CID 135041742), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).