(4R)-4-(phenylmethoxymethyl)hexanal

C14H20O2 — CID 89139563

IUPAC(4R)-4-(phenylmethoxymethyl)hexanal
SMILESCC[C@H](CCC=O)COCc1ccccc1
InChIInChI=1S/C14H20O2/c1-2-13(9-6-10-15)11-16-12-14-7-4-3-5-8-14/h3-5,7-8,10,13H,2,6,9,11-12H2,1H3/t13-/m1/s1
InChIKeyHVXHZLNHYCFEAJ-CYBMUJFWSA-N
MW220.31 g/mol
LogP3.21
Rot. Bonds8

About (4R)-4-(phenylmethoxymethyl)hexanal

(4R)-4-(phenylmethoxymethyl)hexanal (PubChem CID 89139563) has the molecular formula C14H20O2 and a molecular weight of 220.31 g/mol. Its IUPAC name is (4R)-4-(phenylmethoxymethyl)hexanal.

Molecular Properties

Compound Name(4R)-4-(phenylmethoxymethyl)hexanal
PubChem CID89139563
Molecular FormulaC14H20O2
Molecular Weight220.31 g/mol
Exact Mass220.15
IUPAC Name(4R)-4-(phenylmethoxymethyl)hexanal
SMILESCC[C@H](CCC=O)COCc1ccccc1
InChIInChI=1S/C14H20O2/c1-2-13(9-6-10-15)11-16-12-14-7-4-3-5-8-14/h3-5,7-8,10,13H,2,6,9,11-12H2,1H3/t13-/m1/s1
InChIKeyHVXHZLNHYCFEAJ-CYBMUJFWSA-N
XLogP3.21
TPSA26.30 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds8
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500220.31
LogP ≤ 53.21
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

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Related Compounds

[2-formyl-5-(phenylmethoxymethyl)heptyl] formate
CID 174314912
4-benzyl-5-phenylpentanal
CID 151491090
(3R)-3-(octadecoxymethyl)-4-phenylmethoxybutanal
CID 163435782
(3S,4S)-3,4-dimethyl-5-phenylmethoxypentanal
CID 25098803
3-(phenylmethoxymethyl)hexanoic acid
CID 174921830
(2-benzyl-3-phenylmethoxypropoxy)methylbenzene
CID 139384668
4-(2-phenylmethoxyethyl)hex-5-enal
CID 139530154
2-fluorobutoxymethylbenzene
CID 121368179
N-methyl-2-(phenylmethoxymethyl)pentan-1-amine
CID 102940428
[(3R)-3-(methylsulfonyloxymethyl)-4-phenylmethoxybutyl] methanesulfonate
CID 10690263
2-(phenylmethoxymethyl)pentane-1-sulfonamide
CID 65013117
(4S,5S)-4-methyl-7-phenylmethoxy-5-triethylsilyloxyheptanal
CID 11382954

Frequently Asked Questions

What is the IUPAC name of (4R)-4-(phenylmethoxymethyl)hexanal?
The IUPAC name of (4R)-4-(phenylmethoxymethyl)hexanal (CID 89139563) is (4R)-4-(phenylmethoxymethyl)hexanal.
What is the SMILES notation for (4R)-4-(phenylmethoxymethyl)hexanal?
The canonical SMILES for (4R)-4-(phenylmethoxymethyl)hexanal is CC[C@H](CCC=O)COCc1ccccc1.
What is the InChIKey of (4R)-4-(phenylmethoxymethyl)hexanal?
The InChIKey is HVXHZLNHYCFEAJ-CYBMUJFWSA-N. The full InChI is InChI=1S/C14H20O2/c1-2-13(9-6-10-15)11-16-12-14-7-4-3-5-8-14/h3-5,7-8,10,13H,2,6,9,11-12H2,1H3/t13-/m1/s1.
What are the key properties of (4R)-4-(phenylmethoxymethyl)hexanal?
(4R)-4-(phenylmethoxymethyl)hexanal has a molecular weight of 220.31 g/mol, XLogP of 3.21, 8 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for (4R)-4-(phenylmethoxymethyl)hexanal is sourced from PubChem (CID 89139563), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).