(E,2R,3R)-2-methyl-2,3,5-triphenylpent-4-enal

C24H22O — CID 100913808

IUPAC(E,2R,3R)-2-methyl-2,3,5-triphenylpent-4-enal
SMILESC[C@](C=O)(c1ccccc1)[C@H](/C=C/c1ccccc1)c1ccccc1
InChIInChI=1S/C24H22O/c1-24(19-25,22-15-9-4-10-16-22)23(21-13-7-3-8-14-21)18-17-20-11-5-2-6-12-20/h2-19,23H,1H3/b18-17+/t23-,24+/m1/s1
InChIKeyYFSVASHJBWPRPQ-MVUKWZHESA-N
MW326.44 g/mol
LogP5.64
Rot. Bonds6

About (E,2R,3R)-2-methyl-2,3,5-triphenylpent-4-enal

(E,2R,3R)-2-methyl-2,3,5-triphenylpent-4-enal (PubChem CID 100913808) has the molecular formula C24H22O and a molecular weight of 326.44 g/mol. Its IUPAC name is (E,2R,3R)-2-methyl-2,3,5-triphenylpent-4-enal.

Molecular Properties

Compound Name(E,2R,3R)-2-methyl-2,3,5-triphenylpent-4-enal
PubChem CID100913808
Molecular FormulaC24H22O
Molecular Weight326.44 g/mol
Exact Mass326.17
IUPAC Name(E,2R,3R)-2-methyl-2,3,5-triphenylpent-4-enal
SMILESC[C@](C=O)(c1ccccc1)[C@H](/C=C/c1ccccc1)c1ccccc1
InChIInChI=1S/C24H22O/c1-24(19-25,22-15-9-4-10-16-22)23(21-13-7-3-8-14-21)18-17-20-11-5-2-6-12-20/h2-19,23H,1H3/b18-17+/t23-,24+/m1/s1
InChIKeyYFSVASHJBWPRPQ-MVUKWZHESA-N
XLogP5.64
TPSA17.07 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds6
Heavy Atoms25
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500326.44
LogP ≤ 55.64
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 101

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of (E,2R,3R)-2-methyl-2,3,5-triphenylpent-4-enal?
The IUPAC name of (E,2R,3R)-2-methyl-2,3,5-triphenylpent-4-enal (CID 100913808) is (E,2R,3R)-2-methyl-2,3,5-triphenylpent-4-enal.
What is the SMILES notation for (E,2R,3R)-2-methyl-2,3,5-triphenylpent-4-enal?
The canonical SMILES for (E,2R,3R)-2-methyl-2,3,5-triphenylpent-4-enal is C[C@](C=O)(c1ccccc1)[C@H](/C=C/c1ccccc1)c1ccccc1.
What is the InChIKey of (E,2R,3R)-2-methyl-2,3,5-triphenylpent-4-enal?
The InChIKey is YFSVASHJBWPRPQ-MVUKWZHESA-N. The full InChI is InChI=1S/C24H22O/c1-24(19-25,22-15-9-4-10-16-22)23(21-13-7-3-8-14-21)18-17-20-11-5-2-6-12-20/h2-19,23H,1H3/b18-17+/t23-,24+/m1/s1.
What are the key properties of (E,2R,3R)-2-methyl-2,3,5-triphenylpent-4-enal?
(E,2R,3R)-2-methyl-2,3,5-triphenylpent-4-enal has a molecular weight of 326.44 g/mol, XLogP of 5.64, 6 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for (E,2R,3R)-2-methyl-2,3,5-triphenylpent-4-enal is sourced from PubChem (CID 100913808), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).