(5S)-5-[tert-butyl(diphenyl)silyl]oxyhexanal

C22H30O2Si — CID 24755231

IUPAC(5S)-5-[tert-butyl(diphenyl)silyl]oxyhexanal
SMILESC[C@@H](CCCC=O)O[Si](c1ccccc1)(c1ccccc1)C(C)(C)C
InChIInChI=1S/C22H30O2Si/c1-19(13-11-12-18-23)24-25(22(2,3)4,20-14-7-5-8-15-20)21-16-9-6-10-17-21/h5-10,14-19H,11-13H2,1-4H3/t19-/m0/s1
InChIKeyBKVKFFINIXHUHI-IBGZPJMESA-N
MW354.57 g/mol
LogP4.32
Rot. Bonds8

About (5S)-5-[tert-butyl(diphenyl)silyl]oxyhexanal

(5S)-5-[tert-butyl(diphenyl)silyl]oxyhexanal (PubChem CID 24755231) has the molecular formula C22H30O2Si and a molecular weight of 354.57 g/mol. Its IUPAC name is (5S)-5-[tert-butyl(diphenyl)silyl]oxyhexanal.

Molecular Properties

Compound Name(5S)-5-[tert-butyl(diphenyl)silyl]oxyhexanal
PubChem CID24755231
Molecular FormulaC22H30O2Si
Molecular Weight354.57 g/mol
Exact Mass354.20
IUPAC Name(5S)-5-[tert-butyl(diphenyl)silyl]oxyhexanal
SMILESC[C@@H](CCCC=O)O[Si](c1ccccc1)(c1ccccc1)C(C)(C)C
InChIInChI=1S/C22H30O2Si/c1-19(13-11-12-18-23)24-25(22(2,3)4,20-14-7-5-8-15-20)21-16-9-6-10-17-21/h5-10,14-19H,11-13H2,1-4H3/t19-/m0/s1
InChIKeyBKVKFFINIXHUHI-IBGZPJMESA-N
XLogP4.32
TPSA26.30 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds8
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500354.57
LogP ≤ 54.32
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'}, {'alert_name': 'heavy_metal', 'substructure': 'N/A'}

Analyze (5S)-5-[tert-butyl(diphenyl)silyl]oxyhexanal 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

tert-butyl-[(2R)-hexan-2-yl]oxy-diphenylsilane
CID 134846417
tert-butyl-[(2S)-5-iodopentan-2-yl]oxy-diphenylsilane
CID 122389486
(3R)-3-[tert-butyl(diphenyl)silyl]oxybutanal
CID 10936306
tert-butyl-diphenyl-[(2S)-undec-10-en-2-yl]oxysilane
CID 11988597
(E,7R)-7-[tert-butyl(diphenyl)silyl]oxy-2-methyloct-2-en-1-ol
CID 16754110
tert-butyl-diphenyl-tetradecan-2-yloxysilane
CID 71344239
(10R)-10-[tert-butyl(diphenyl)silyl]oxyundec-1-en-6-ol
CID 134834787
(4S)-4-[tert-butyl(diphenyl)silyl]oxypentane-1-sulfonic acid
CID 172708913
(Z)-19-[tert-butyl(diphenyl)silyl]oxyicos-5-en-1-ol
CID 153316559
[(5S)-5-[tert-butyl(diphenyl)silyl]oxyhexyl]-triphenylphosphanium bromide
CID 11802691
6-[tert-butyl(diphenyl)silyl]oxy-2-methylhept-2-en-1-ol
CID 70299743
(2S,4R)-2-[tert-butyl(diphenyl)silyl]oxynon-8-en-4-ol
CID 10992951

Frequently Asked Questions

What is the IUPAC name of (5S)-5-[tert-butyl(diphenyl)silyl]oxyhexanal?
The IUPAC name of (5S)-5-[tert-butyl(diphenyl)silyl]oxyhexanal (CID 24755231) is (5S)-5-[tert-butyl(diphenyl)silyl]oxyhexanal.
What is the SMILES notation for (5S)-5-[tert-butyl(diphenyl)silyl]oxyhexanal?
The canonical SMILES for (5S)-5-[tert-butyl(diphenyl)silyl]oxyhexanal is C[C@@H](CCCC=O)O[Si](c1ccccc1)(c1ccccc1)C(C)(C)C.
What is the InChIKey of (5S)-5-[tert-butyl(diphenyl)silyl]oxyhexanal?
The InChIKey is BKVKFFINIXHUHI-IBGZPJMESA-N. The full InChI is InChI=1S/C22H30O2Si/c1-19(13-11-12-18-23)24-25(22(2,3)4,20-14-7-5-8-15-20)21-16-9-6-10-17-21/h5-10,14-19H,11-13H2,1-4H3/t19-/m0/s1.
What are the key properties of (5S)-5-[tert-butyl(diphenyl)silyl]oxyhexanal?
(5S)-5-[tert-butyl(diphenyl)silyl]oxyhexanal has a molecular weight of 354.57 g/mol, XLogP of 4.32, 8 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for (5S)-5-[tert-butyl(diphenyl)silyl]oxyhexanal is sourced from PubChem (CID 24755231), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).