(2R,3S)-3-[tert-butyl(dimethyl)silyl]oxy-2-phenylmethoxypentanal

C18H30O3Si — CID 102255365

IUPAC(2R,3S)-3-[tert-butyl(dimethyl)silyl]oxy-2-phenylmethoxypentanal
SMILESCC[C@H](O[Si](C)(C)C(C)(C)C)[C@H](C=O)OCc1ccccc1
InChIInChI=1S/C18H30O3Si/c1-7-16(21-22(5,6)18(2,3)4)17(13-19)20-14-15-11-9-8-10-12-15/h8-13,16-17H,7,14H2,1-6H3/t16-,17-/m0/s1
InChIKeyRQBFTWLAGFITSX-IRXDYDNUSA-N
MW322.52 g/mol
LogP4.57
Rot. Bonds8

About (2R,3S)-3-[tert-butyl(dimethyl)silyl]oxy-2-phenylmethoxypentanal

(2R,3S)-3-[tert-butyl(dimethyl)silyl]oxy-2-phenylmethoxypentanal (PubChem CID 102255365) has the molecular formula C18H30O3Si and a molecular weight of 322.52 g/mol. Its IUPAC name is (2R,3S)-3-[tert-butyl(dimethyl)silyl]oxy-2-phenylmethoxypentanal.

Molecular Properties

Compound Name(2R,3S)-3-[tert-butyl(dimethyl)silyl]oxy-2-phenylmethoxypentanal
PubChem CID102255365
Molecular FormulaC18H30O3Si
Molecular Weight322.52 g/mol
Exact Mass322.20
IUPAC Name(2R,3S)-3-[tert-butyl(dimethyl)silyl]oxy-2-phenylmethoxypentanal
SMILESCC[C@H](O[Si](C)(C)C(C)(C)C)[C@H](C=O)OCc1ccccc1
InChIInChI=1S/C18H30O3Si/c1-7-16(21-22(5,6)18(2,3)4)17(13-19)20-14-15-11-9-8-10-12-15/h8-13,16-17H,7,14H2,1-6H3/t16-,17-/m0/s1
InChIKeyRQBFTWLAGFITSX-IRXDYDNUSA-N
XLogP4.57
TPSA35.53 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds8
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500322.52
LogP ≤ 54.57
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

Analyze (2R,3S)-3-[tert-butyl(dimethyl)silyl]oxy-2-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

(4R)-4-[tert-butyl(dimethyl)silyl]oxy-5-phenylmethoxyhexanal
CID 139917803
tert-butyl-dimethyl-[(2S,3R)-3-phenylmethoxypent-4-en-2-yl]oxysilane
CID 73333549
tert-butyl-dimethyl-[(2S,3S)-3-phenylmethoxypent-4-en-2-yl]oxysilane
CID 73333550
(2S,3S)-3-methyl-2-phenylmethoxypentanal
CID 86607759
tert-butyl-dimethyl-[(3S,4R)-4-phenylmethoxyoct-7-yn-3-yl]oxysilane
CID 102243203
(2R,3R,4R)-4-[tert-butyl(dimethyl)silyl]oxy-2-hexadecoxy-3-phenylmethoxyhex-5-enal
CID 101388981
(Z,2R,3S)-2,3-bis[[tert-butyl(dimethyl)silyl]oxy]-6-phenylmethoxyhex-4-enal
CID 10027466
(2R,3S)-3-[tert-butyl(dimethyl)silyl]oxy-2-methyl-5-phenylpentanal
CID 53259150
tert-butyl-dimethyl-[(3S,4S)-4-phenylmethoxypent-1-en-3-yl]oxysilane
CID 138976638
(E,4R,5R)-5-[tert-butyl(dimethyl)silyl]oxy-4,6-bis(phenylmethoxy)hex-2-en-1-ol
CID 102359396
(2R,3S,4S,5R)-2-[tert-butyl(diphenyl)silyl]oxy-3,4,5-tris(phenylmethoxy)hexanedial
CID 102478524
(3R,8R)-3-[tert-butyl(dimethyl)silyl]oxy-8-phenylmethoxydecanedial
CID 101138351

Frequently Asked Questions

What is the IUPAC name of (2R,3S)-3-[tert-butyl(dimethyl)silyl]oxy-2-phenylmethoxypentanal?
The IUPAC name of (2R,3S)-3-[tert-butyl(dimethyl)silyl]oxy-2-phenylmethoxypentanal (CID 102255365) is (2R,3S)-3-[tert-butyl(dimethyl)silyl]oxy-2-phenylmethoxypentanal.
What is the SMILES notation for (2R,3S)-3-[tert-butyl(dimethyl)silyl]oxy-2-phenylmethoxypentanal?
The canonical SMILES for (2R,3S)-3-[tert-butyl(dimethyl)silyl]oxy-2-phenylmethoxypentanal is CC[C@H](O[Si](C)(C)C(C)(C)C)[C@H](C=O)OCc1ccccc1.
What is the InChIKey of (2R,3S)-3-[tert-butyl(dimethyl)silyl]oxy-2-phenylmethoxypentanal?
The InChIKey is RQBFTWLAGFITSX-IRXDYDNUSA-N. The full InChI is InChI=1S/C18H30O3Si/c1-7-16(21-22(5,6)18(2,3)4)17(13-19)20-14-15-11-9-8-10-12-15/h8-13,16-17H,7,14H2,1-6H3/t16-,17-/m0/s1.
What are the key properties of (2R,3S)-3-[tert-butyl(dimethyl)silyl]oxy-2-phenylmethoxypentanal?
(2R,3S)-3-[tert-butyl(dimethyl)silyl]oxy-2-phenylmethoxypentanal has a molecular weight of 322.52 g/mol, XLogP of 4.57, 8 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for (2R,3S)-3-[tert-butyl(dimethyl)silyl]oxy-2-phenylmethoxypentanal is sourced from PubChem (CID 102255365), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).