2-[(2R,4R)-2-[tert-butyl(diphenyl)silyl]oxynon-8-en-4-yl]isoindole-1,3-dione

C33H39NO3Si — CID 11071459

IUPAC2-[(2R,4R)-2-[tert-butyl(diphenyl)silyl]oxynon-8-en-4-yl]isoindole-1,3-dione
SMILESC=CCCC[C@H](C[C@@H](C)O[Si](c1ccccc1)(c1ccccc1)C(C)(C)C)N1C(=O)c2ccccc2C1=O
InChIInChI=1S/C33H39NO3Si/c1-6-7-10-17-26(34-31(35)29-22-15-16-23-30(29)32(34)36)24-25(2)37-38(33(3,4)5,27-18-11-8-12-19-27)28-20-13-9-14-21-28/h6,8-9,11-16,18-23,25-26H,1,7,10,17,24H2,2-5H3/t25-,26-/m1/s1
InChIKeyXJFLDABTAYDEPQ-CLJLJLNGSA-N
MW525.77 g/mol
LogP6.36
Rot. Bonds11

About 2-[(2R,4R)-2-[tert-butyl(diphenyl)silyl]oxynon-8-en-4-yl]isoindole-1,3-dione

2-[(2R,4R)-2-[tert-butyl(diphenyl)silyl]oxynon-8-en-4-yl]isoindole-1,3-dione (PubChem CID 11071459) has the molecular formula C33H39NO3Si and a molecular weight of 525.77 g/mol. Its IUPAC name is 2-[(2R,4R)-2-[tert-butyl(diphenyl)silyl]oxynon-8-en-4-yl]isoindole-1,3-dione.

Molecular Properties

Compound Name2-[(2R,4R)-2-[tert-butyl(diphenyl)silyl]oxynon-8-en-4-yl]isoindole-1,3-dione
PubChem CID11071459
Molecular FormulaC33H39NO3Si
Molecular Weight525.77 g/mol
Exact Mass525.27
IUPAC Name2-[(2R,4R)-2-[tert-butyl(diphenyl)silyl]oxynon-8-en-4-yl]isoindole-1,3-dione
SMILESC=CCCC[C@H](C[C@@H](C)O[Si](c1ccccc1)(c1ccccc1)C(C)(C)C)N1C(=O)c2ccccc2C1=O
InChIInChI=1S/C33H39NO3Si/c1-6-7-10-17-26(34-31(35)29-22-15-16-23-30(29)32(34)36)24-25(2)37-38(33(3,4)5,27-18-11-8-12-19-27)28-20-13-9-14-21-28/h6,8-9,11-16,18-23,25-26H,1,7,10,17,24H2,2-5H3/t25-,26-/m1/s1
InChIKeyXJFLDABTAYDEPQ-CLJLJLNGSA-N
XLogP6.36
TPSA46.61 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds11
Heavy Atoms38
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500525.77
LogP ≤ 56.36
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}, {'alert_name': 'heavy_metal', 'substructure': 'N/A'}, {'alert_name': 'isolated_alkene', 'substructure': 'N/A'}, {'alert_name': 'phthalimide', 'substructure': 'N/A'}

Analyze 2-[(2R,4R)-2-[tert-butyl(diphenyl)silyl]oxynon-8-en-4-yl]isoindole-1,3-dione 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

2-[(2S,4S)-2-[tert-butyl(diphenyl)silyl]oxynon-8-en-4-yl]isoindole-1,3-dione
CID 10962441
(2S,4R)-2-[tert-butyl(diphenyl)silyl]oxynon-8-en-4-ol
CID 10992951
tert-butyl-diphenyl-[(2S)-undec-10-en-2-yl]oxysilane
CID 11988597
2-undeca-1,10-dien-6-ylisoindole-1,3-dione
CID 11323980
(10R)-10-[tert-butyl(diphenyl)silyl]oxyundec-1-en-6-ol
CID 134834787
(5S)-5-[tert-butyl(diphenyl)silyl]oxyhexanal
CID 24755231
3-[tert-butyl(diphenyl)silyl]oxypent-4-enal
CID 85402432
tert-butyl-[(2S)-1-[(1R,2R)-2-ethenylcyclopropyl]propan-2-yl]oxy-diphenylsilane
CID 11175995
(3R,6R)-6-[tert-butyl(diphenyl)silyl]oxyhept-1-en-3-ol
CID 56971432
tert-butyl-[(2S)-5-iodopentan-2-yl]oxy-diphenylsilane
CID 122389486
(3R)-3-[tert-butyl(diphenyl)silyl]oxybutanal
CID 10936306
tert-butyl-[(2R)-hexan-2-yl]oxy-diphenylsilane
CID 134846417

Frequently Asked Questions

What is the IUPAC name of 2-[(2R,4R)-2-[tert-butyl(diphenyl)silyl]oxynon-8-en-4-yl]isoindole-1,3-dione?
The IUPAC name of 2-[(2R,4R)-2-[tert-butyl(diphenyl)silyl]oxynon-8-en-4-yl]isoindole-1,3-dione (CID 11071459) is 2-[(2R,4R)-2-[tert-butyl(diphenyl)silyl]oxynon-8-en-4-yl]isoindole-1,3-dione.
What is the SMILES notation for 2-[(2R,4R)-2-[tert-butyl(diphenyl)silyl]oxynon-8-en-4-yl]isoindole-1,3-dione?
The canonical SMILES for 2-[(2R,4R)-2-[tert-butyl(diphenyl)silyl]oxynon-8-en-4-yl]isoindole-1,3-dione is C=CCCC[C@H](C[C@@H](C)O[Si](c1ccccc1)(c1ccccc1)C(C)(C)C)N1C(=O)c2ccccc2C1=O.
What is the InChIKey of 2-[(2R,4R)-2-[tert-butyl(diphenyl)silyl]oxynon-8-en-4-yl]isoindole-1,3-dione?
The InChIKey is XJFLDABTAYDEPQ-CLJLJLNGSA-N. The full InChI is InChI=1S/C33H39NO3Si/c1-6-7-10-17-26(34-31(35)29-22-15-16-23-30(29)32(34)36)24-25(2)37-38(33(3,4)5,27-18-11-8-12-19-27)28-20-13-9-14-21-28/h6,8-9,11-16,18-23,25-26H,1,7,10,17,24H2,2-5H3/t25-,26-/m1/s1.
What are the key properties of 2-[(2R,4R)-2-[tert-butyl(diphenyl)silyl]oxynon-8-en-4-yl]isoindole-1,3-dione?
2-[(2R,4R)-2-[tert-butyl(diphenyl)silyl]oxynon-8-en-4-yl]isoindole-1,3-dione has a molecular weight of 525.77 g/mol, XLogP of 6.36, 11 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[(2R,4R)-2-[tert-butyl(diphenyl)silyl]oxynon-8-en-4-yl]isoindole-1,3-dione is sourced from PubChem (CID 11071459), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).