(2S,3S)-2-(methoxymethoxy)-3-methyl-5-phenylmethoxypentanal

C15H22O4 — CID 11780450

IUPAC(2S,3S)-2-(methoxymethoxy)-3-methyl-5-phenylmethoxypentanal
SMILESCOCO[C@H](C=O)[C@@H](C)CCOCc1ccccc1
InChIInChI=1S/C15H22O4/c1-13(15(10-16)19-12-17-2)8-9-18-11-14-6-4-3-5-7-14/h3-7,10,13,15H,8-9,11-12H2,1-2H3/t13-,15+/m0/s1
InChIKeyIEHZQDOCZDDXEN-DZGCQCFKSA-N
MW266.34 g/mol
LogP2.42
Rot. Bonds10

About (2S,3S)-2-(methoxymethoxy)-3-methyl-5-phenylmethoxypentanal

(2S,3S)-2-(methoxymethoxy)-3-methyl-5-phenylmethoxypentanal (PubChem CID 11780450) has the molecular formula C15H22O4 and a molecular weight of 266.34 g/mol. Its IUPAC name is (2S,3S)-2-(methoxymethoxy)-3-methyl-5-phenylmethoxypentanal.

Molecular Properties

Compound Name(2S,3S)-2-(methoxymethoxy)-3-methyl-5-phenylmethoxypentanal
PubChem CID11780450
Molecular FormulaC15H22O4
Molecular Weight266.34 g/mol
Exact Mass266.15
IUPAC Name(2S,3S)-2-(methoxymethoxy)-3-methyl-5-phenylmethoxypentanal
SMILESCOCO[C@H](C=O)[C@@H](C)CCOCc1ccccc1
InChIInChI=1S/C15H22O4/c1-13(15(10-16)19-12-17-2)8-9-18-11-14-6-4-3-5-7-14/h3-7,10,13,15H,8-9,11-12H2,1-2H3/t13-,15+/m0/s1
InChIKeyIEHZQDOCZDDXEN-DZGCQCFKSA-N
XLogP2.42
TPSA44.76 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds10
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500266.34
LogP ≤ 52.42
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'aldehyde', 'substructure': 'N/A'}, {'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}, {'alert_name': 'het-C-het_not_in_ring', 'substructure': 'N/A'}

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Related Compounds

(2S,3S)-3-methyl-2-phenylmethoxypentanal
CID 86607759
(2S)-2-methyl-5-phenylmethoxypentanal
CID 11218003
(2S,3R)-3-methyl-2,5-bis(phenylmethoxy)pentanenitrile
CID 15739741
2-hydroxy-4-phenylmethoxybutanal
CID 130035859
[(3R,5R)-5-(methoxymethoxy)-1-phenylmethoxyhept-6-en-3-yl] acetate
CID 50915848
[(2R)-1-oxo-4-phenylmethoxybutan-2-yl] formate
CID 10922089
[(2R)-2-ethoxy-3-(methoxymethoxy)propoxy]methylbenzene
CID 140879389
(3-methyl-4-phenylbutoxy)methylbenzene
CID 86049172
(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
(2R,3S,4S)-2,4-dimethyl-3,5-bis(phenylmethoxy)pentanal
CID 11738903
(2S,3R,4S)-2,4-dimethyl-3,5-bis(phenylmethoxy)pentanal
CID 12995469
N,N-dimethyl-4-phenylmethoxybutan-2-amine
CID 142063705

Frequently Asked Questions

What is the IUPAC name of (2S,3S)-2-(methoxymethoxy)-3-methyl-5-phenylmethoxypentanal?
The IUPAC name of (2S,3S)-2-(methoxymethoxy)-3-methyl-5-phenylmethoxypentanal (CID 11780450) is (2S,3S)-2-(methoxymethoxy)-3-methyl-5-phenylmethoxypentanal.
What is the SMILES notation for (2S,3S)-2-(methoxymethoxy)-3-methyl-5-phenylmethoxypentanal?
The canonical SMILES for (2S,3S)-2-(methoxymethoxy)-3-methyl-5-phenylmethoxypentanal is COCO[C@H](C=O)[C@@H](C)CCOCc1ccccc1.
What is the InChIKey of (2S,3S)-2-(methoxymethoxy)-3-methyl-5-phenylmethoxypentanal?
The InChIKey is IEHZQDOCZDDXEN-DZGCQCFKSA-N. The full InChI is InChI=1S/C15H22O4/c1-13(15(10-16)19-12-17-2)8-9-18-11-14-6-4-3-5-7-14/h3-7,10,13,15H,8-9,11-12H2,1-2H3/t13-,15+/m0/s1.
What are the key properties of (2S,3S)-2-(methoxymethoxy)-3-methyl-5-phenylmethoxypentanal?
(2S,3S)-2-(methoxymethoxy)-3-methyl-5-phenylmethoxypentanal has a molecular weight of 266.34 g/mol, XLogP of 2.42, 10 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for (2S,3S)-2-(methoxymethoxy)-3-methyl-5-phenylmethoxypentanal is sourced from PubChem (CID 11780450), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).