(3R,8R)-3-[tert-butyl(dimethyl)silyl]oxy-8-phenylmethoxydecanedial

C23H38O4Si — CID 101138351

IUPAC(3R,8R)-3-[tert-butyl(dimethyl)silyl]oxy-8-phenylmethoxydecanedial
SMILESCC(C)(C)[Si](C)(C)O[C@@H](CC=O)CCCC[C@H](CC=O)OCc1ccccc1
InChIInChI=1S/C23H38O4Si/c1-23(2,3)28(4,5)27-22(16-18-25)14-10-9-13-21(15-17-24)26-19-20-11-7-6-8-12-20/h6-8,11-12,17-18,21-22H,9-10,13-16,19H2,1-5H3/t21-,22-/m1/s1
InChIKeyWQNQIJOTXBXSMJ-FGZHOGPDSA-N
MW406.64 g/mol
LogP5.70
Rot. Bonds14

About (3R,8R)-3-[tert-butyl(dimethyl)silyl]oxy-8-phenylmethoxydecanedial

(3R,8R)-3-[tert-butyl(dimethyl)silyl]oxy-8-phenylmethoxydecanedial (PubChem CID 101138351) has the molecular formula C23H38O4Si and a molecular weight of 406.64 g/mol. Its IUPAC name is (3R,8R)-3-[tert-butyl(dimethyl)silyl]oxy-8-phenylmethoxydecanedial.

Molecular Properties

Compound Name(3R,8R)-3-[tert-butyl(dimethyl)silyl]oxy-8-phenylmethoxydecanedial
PubChem CID101138351
Molecular FormulaC23H38O4Si
Molecular Weight406.64 g/mol
Exact Mass406.25
IUPAC Name(3R,8R)-3-[tert-butyl(dimethyl)silyl]oxy-8-phenylmethoxydecanedial
SMILESCC(C)(C)[Si](C)(C)O[C@@H](CC=O)CCCC[C@H](CC=O)OCc1ccccc1
InChIInChI=1S/C23H38O4Si/c1-23(2,3)28(4,5)27-22(16-18-25)14-10-9-13-21(15-17-24)26-19-20-11-7-6-8-12-20/h6-8,11-12,17-18,21-22H,9-10,13-16,19H2,1-5H3/t21-,22-/m1/s1
InChIKeyWQNQIJOTXBXSMJ-FGZHOGPDSA-N
XLogP5.70
TPSA52.60 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds14
Heavy Atoms28
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500406.64
LogP ≤ 55.70
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': 'heavy_metal', 'substructure': 'N/A'}

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Related Compounds

(3R)-3-phenylmethoxyoctadecanal
CID 71606936
3-phenylmethoxypentanedial
CID 154678181
(3R)-3-[tert-butyl(dimethyl)silyl]oxy-6-[(4-methoxyphenyl)methoxy]hexanal
CID 101366005
1,17-bis(phenylmethoxy)heptadecan-9-yloxy-tert-butyl-dimethylsilane
CID 66710987
(4R)-4-[tert-butyl(dimethyl)silyl]oxy-5-phenylmethoxyhexanal
CID 139917803
(5R,7S)-5,7-bis[[tert-butyl(dimethyl)silyl]oxy]-7-phenylheptanal
CID 11419569
3-[tert-butyl(dimethyl)silyl]oxy-5-[(4-methoxyphenyl)methoxy]pentanal
CID 20725796
(3S,6R)-3,6-bis[[tert-butyl(dimethyl)silyl]oxy]-10-methylundecanal
CID 101384249
(2R,3S)-3-[tert-butyl(dimethyl)silyl]oxy-2-phenylmethoxypentanal
CID 102255365
benzyl (2R,3S,5R)-3-[tert-butyl(dimethyl)silyl]oxy-2-hexyl-5-phenylmethoxyhexadecanoate
CID 58361991
tert-butyl-[(2S)-1-fluoro-3-phenylmethoxypropan-2-yl]oxy-dimethylsilane
CID 140735332
ethyl (E,5R)-5-[tert-butyl(dimethyl)silyl]oxy-9-phenylnon-2-enoate
CID 134835436

Frequently Asked Questions

What is the IUPAC name of (3R,8R)-3-[tert-butyl(dimethyl)silyl]oxy-8-phenylmethoxydecanedial?
The IUPAC name of (3R,8R)-3-[tert-butyl(dimethyl)silyl]oxy-8-phenylmethoxydecanedial (CID 101138351) is (3R,8R)-3-[tert-butyl(dimethyl)silyl]oxy-8-phenylmethoxydecanedial.
What is the SMILES notation for (3R,8R)-3-[tert-butyl(dimethyl)silyl]oxy-8-phenylmethoxydecanedial?
The canonical SMILES for (3R,8R)-3-[tert-butyl(dimethyl)silyl]oxy-8-phenylmethoxydecanedial is CC(C)(C)[Si](C)(C)O[C@@H](CC=O)CCCC[C@H](CC=O)OCc1ccccc1.
What is the InChIKey of (3R,8R)-3-[tert-butyl(dimethyl)silyl]oxy-8-phenylmethoxydecanedial?
The InChIKey is WQNQIJOTXBXSMJ-FGZHOGPDSA-N. The full InChI is InChI=1S/C23H38O4Si/c1-23(2,3)28(4,5)27-22(16-18-25)14-10-9-13-21(15-17-24)26-19-20-11-7-6-8-12-20/h6-8,11-12,17-18,21-22H,9-10,13-16,19H2,1-5H3/t21-,22-/m1/s1.
What are the key properties of (3R,8R)-3-[tert-butyl(dimethyl)silyl]oxy-8-phenylmethoxydecanedial?
(3R,8R)-3-[tert-butyl(dimethyl)silyl]oxy-8-phenylmethoxydecanedial has a molecular weight of 406.64 g/mol, XLogP of 5.70, 14 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for (3R,8R)-3-[tert-butyl(dimethyl)silyl]oxy-8-phenylmethoxydecanedial is sourced from PubChem (CID 101138351), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).