(2R,3R)-2-methyl-3-phenylpentanedial

C12H14O2 — CID 24741048

IUPAC(2R,3R)-2-methyl-3-phenylpentanedial
SMILESC[C@@H](C=O)[C@@H](CC=O)c1ccccc1
InChIInChI=1S/C12H14O2/c1-10(9-14)12(7-8-13)11-5-3-2-4-6-11/h2-6,8-10,12H,7H2,1H3/t10-,12+/m0/s1
InChIKeyBZDYKVITGBKREV-CMPLNLGQSA-N
MW190.24 g/mol
LogP2.19
Rot. Bonds5

About (2R,3R)-2-methyl-3-phenylpentanedial

(2R,3R)-2-methyl-3-phenylpentanedial (PubChem CID 24741048) has the molecular formula C12H14O2 and a molecular weight of 190.24 g/mol. Its IUPAC name is (2R,3R)-2-methyl-3-phenylpentanedial.

Molecular Properties

Compound Name(2R,3R)-2-methyl-3-phenylpentanedial
PubChem CID24741048
Molecular FormulaC12H14O2
Molecular Weight190.24 g/mol
Exact Mass190.10
IUPAC Name(2R,3R)-2-methyl-3-phenylpentanedial
SMILESC[C@@H](C=O)[C@@H](CC=O)c1ccccc1
InChIInChI=1S/C12H14O2/c1-10(9-14)12(7-8-13)11-5-3-2-4-6-11/h2-6,8-10,12H,7H2,1H3/t10-,12+/m0/s1
InChIKeyBZDYKVITGBKREV-CMPLNLGQSA-N
XLogP2.19
TPSA34.14 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds5
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500190.24
LogP ≤ 52.19
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of (2R,3R)-2-methyl-3-phenylpentanedial?
The IUPAC name of (2R,3R)-2-methyl-3-phenylpentanedial (CID 24741048) is (2R,3R)-2-methyl-3-phenylpentanedial.
What is the SMILES notation for (2R,3R)-2-methyl-3-phenylpentanedial?
The canonical SMILES for (2R,3R)-2-methyl-3-phenylpentanedial is C[C@@H](C=O)[C@@H](CC=O)c1ccccc1.
What is the InChIKey of (2R,3R)-2-methyl-3-phenylpentanedial?
The InChIKey is BZDYKVITGBKREV-CMPLNLGQSA-N. The full InChI is InChI=1S/C12H14O2/c1-10(9-14)12(7-8-13)11-5-3-2-4-6-11/h2-6,8-10,12H,7H2,1H3/t10-,12+/m0/s1.
What are the key properties of (2R,3R)-2-methyl-3-phenylpentanedial?
(2R,3R)-2-methyl-3-phenylpentanedial has a molecular weight of 190.24 g/mol, XLogP of 2.19, 5 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for (2R,3R)-2-methyl-3-phenylpentanedial is sourced from PubChem (CID 24741048), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).