(2S)-2-methyl-5-phenylmethoxypentanal

C13H18O2 — CID 11218003

IUPAC(2S)-2-methyl-5-phenylmethoxypentanal
SMILESC[C@H](C=O)CCCOCc1ccccc1
InChIInChI=1S/C13H18O2/c1-12(10-14)6-5-9-15-11-13-7-3-2-4-8-13/h2-4,7-8,10,12H,5-6,9,11H2,1H3/t12-/m0/s1
InChIKeyWMGLDZHURAJTMB-LBPRGKRZSA-N
MW206.29 g/mol
LogP2.82
Rot. Bonds7

About (2S)-2-methyl-5-phenylmethoxypentanal

(2S)-2-methyl-5-phenylmethoxypentanal (PubChem CID 11218003) has the molecular formula C13H18O2 and a molecular weight of 206.29 g/mol. Its IUPAC name is (2S)-2-methyl-5-phenylmethoxypentanal.

Molecular Properties

Compound Name(2S)-2-methyl-5-phenylmethoxypentanal
PubChem CID11218003
Molecular FormulaC13H18O2
Molecular Weight206.29 g/mol
Exact Mass206.13
IUPAC Name(2S)-2-methyl-5-phenylmethoxypentanal
SMILESC[C@H](C=O)CCCOCc1ccccc1
InChIInChI=1S/C13H18O2/c1-12(10-14)6-5-9-15-11-13-7-3-2-4-8-13/h2-4,7-8,10,12H,5-6,9,11H2,1H3/t12-/m0/s1
InChIKeyWMGLDZHURAJTMB-LBPRGKRZSA-N
XLogP2.82
TPSA26.30 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds7
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500206.29
LogP ≤ 52.82
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'}

Analyze (2S)-2-methyl-5-phenylmethoxypentanal 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

[(E,4R)-4-methyloct-5-enoxy]methylbenzene
CID 102424556
(2S,6S,10R,14R)-2,6,10,14-tetramethyl-16-[(2S)-2-[(3R,7R,11S,15S,18S,22S,26R,30R)-3,7,11,15,18,22,26,30-octamethyl-32-[(2S)-3-phenylmethoxy-2-[(3R,7R,11S,15S)-3,7,11,15-tetramethyl-16-oxohexadecoxy]propoxy]dotriacontoxy]-3-phenylmethoxypropoxy]hexadecanal
CID 10630358
3-methyl-6-phenylmethoxyhexan-2-one
CID 15686946
3-methyl-6-phenylmethoxyhexan-2-amine
CID 130588586
(2S,4S)-2,4-dimethyl-5-phenylmethoxypentanal
CID 25112676
dimethyl 2-(3-phenylmethoxypropyl)propanedioate
CID 170992106
4-methyl-7-phenylmethoxyheptan-1-ol
CID 142091030
4-hydroxy-3-methyl-7-phenylmethoxyheptan-2-one
CID 18338993
2-hydroxy-4-phenylmethoxybutanal
CID 130035859
(2R)-6-phenylmethoxyhexan-2-ol
CID 50901799
(4-chloro-6-methylheptoxy)methylbenzene
CID 130537115
(4S)-6-methyl-1-phenylmethoxyheptan-4-ol
CID 11322322

Frequently Asked Questions

What is the IUPAC name of (2S)-2-methyl-5-phenylmethoxypentanal?
The IUPAC name of (2S)-2-methyl-5-phenylmethoxypentanal (CID 11218003) is (2S)-2-methyl-5-phenylmethoxypentanal.
What is the SMILES notation for (2S)-2-methyl-5-phenylmethoxypentanal?
The canonical SMILES for (2S)-2-methyl-5-phenylmethoxypentanal is C[C@H](C=O)CCCOCc1ccccc1.
What is the InChIKey of (2S)-2-methyl-5-phenylmethoxypentanal?
The InChIKey is WMGLDZHURAJTMB-LBPRGKRZSA-N. The full InChI is InChI=1S/C13H18O2/c1-12(10-14)6-5-9-15-11-13-7-3-2-4-8-13/h2-4,7-8,10,12H,5-6,9,11H2,1H3/t12-/m0/s1.
What are the key properties of (2S)-2-methyl-5-phenylmethoxypentanal?
(2S)-2-methyl-5-phenylmethoxypentanal has a molecular weight of 206.29 g/mol, XLogP of 2.82, 7 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for (2S)-2-methyl-5-phenylmethoxypentanal is sourced from PubChem (CID 11218003), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).