2-[5-[tert-butyl(dimethyl)silyl]oxypentyl]isoindole-1,3-dione

C19H29NO3Si — CID 159105396

IUPAC2-[5-[tert-butyl(dimethyl)silyl]oxypentyl]isoindole-1,3-dione
SMILESCC(C)(C)[Si](C)(C)OCCCCCN1C(=O)c2ccccc2C1=O
InChIInChI=1S/C19H29NO3Si/c1-19(2,3)24(4,5)23-14-10-6-9-13-20-17(21)15-11-7-8-12-16(15)18(20)22/h7-8,11-12H,6,9-10,13-14H2,1-5H3
InChIKeyKDUWFVADOPSSFW-UHFFFAOYSA-N
MW347.53 g/mol
LogP4.47
Rot. Bonds7

About 2-[5-[tert-butyl(dimethyl)silyl]oxypentyl]isoindole-1,3-dione

2-[5-[tert-butyl(dimethyl)silyl]oxypentyl]isoindole-1,3-dione (PubChem CID 159105396) has the molecular formula C19H29NO3Si and a molecular weight of 347.53 g/mol. Its IUPAC name is 2-[5-[tert-butyl(dimethyl)silyl]oxypentyl]isoindole-1,3-dione.

Molecular Properties

Compound Name2-[5-[tert-butyl(dimethyl)silyl]oxypentyl]isoindole-1,3-dione
PubChem CID159105396
Molecular FormulaC19H29NO3Si
Molecular Weight347.53 g/mol
Exact Mass347.19
IUPAC Name2-[5-[tert-butyl(dimethyl)silyl]oxypentyl]isoindole-1,3-dione
SMILESCC(C)(C)[Si](C)(C)OCCCCCN1C(=O)c2ccccc2C1=O
InChIInChI=1S/C19H29NO3Si/c1-19(2,3)24(4,5)23-14-10-6-9-13-20-17(21)15-11-7-8-12-16(15)18(20)22/h7-8,11-12H,6,9-10,13-14H2,1-5H3
InChIKeyKDUWFVADOPSSFW-UHFFFAOYSA-N
XLogP4.47
TPSA46.61 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds7
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500347.53
LogP ≤ 54.47
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': 'phthalimide', 'substructure': 'N/A'}

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Related Compounds

2-(6-methoxyhexyl)isoindole-1,3-dione
CID 14947433
2-[7-(2,2-dimethylpropoxy)heptyl]isoindole-1,3-dione
CID 139959344
2-[4-(1,3-dioxoisoindol-2-yl)(1,4-13C2)butyl]isoindole-1,3-dione
CID 10784038
2-(5-pentoxypentyl)isoindole-1,3-dione
CID 139959537
2-[(E)-4-[tert-butyl(dimethyl)silyl]oxybut-2-enyl]isoindole-1,3-dione
CID 150593659
tert-butyl-[5-[tert-butyl(dimethyl)silyl]oxypentoxy]-dimethylsilane
CID 529127
tert-butyl-[6-[tert-butyl(dimethyl)silyl]oxyhexoxy]-dimethylsilane
CID 6430202
1,3-dibromo-5-[8-[tert-butyl(diphenyl)silyl]oxyoctyl]thieno[3,4-c]pyrrole-4,6-dione
CID 140789723
4-bromo-1-[5-[tert-butyl(dimethyl)silyl]oxypentyl]-6-iodoindole-2,3-dione
CID 18518630
2-(7-bromoheptyl)isoindole-1,3-dione;2-(8-bromooctyl)isoindole-1,3-dione
CID 19698937
CID 88976080
CID 88976080
3-[3-[tert-butyl(dimethyl)silyl]oxypropyl]-1-phenyl-1,3-diazinane-2,4-dione
CID 58719562

Frequently Asked Questions

What is the IUPAC name of 2-[5-[tert-butyl(dimethyl)silyl]oxypentyl]isoindole-1,3-dione?
The IUPAC name of 2-[5-[tert-butyl(dimethyl)silyl]oxypentyl]isoindole-1,3-dione (CID 159105396) is 2-[5-[tert-butyl(dimethyl)silyl]oxypentyl]isoindole-1,3-dione.
What is the SMILES notation for 2-[5-[tert-butyl(dimethyl)silyl]oxypentyl]isoindole-1,3-dione?
The canonical SMILES for 2-[5-[tert-butyl(dimethyl)silyl]oxypentyl]isoindole-1,3-dione is CC(C)(C)[Si](C)(C)OCCCCCN1C(=O)c2ccccc2C1=O.
What is the InChIKey of 2-[5-[tert-butyl(dimethyl)silyl]oxypentyl]isoindole-1,3-dione?
The InChIKey is KDUWFVADOPSSFW-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H29NO3Si/c1-19(2,3)24(4,5)23-14-10-6-9-13-20-17(21)15-11-7-8-12-16(15)18(20)22/h7-8,11-12H,6,9-10,13-14H2,1-5H3.
What are the key properties of 2-[5-[tert-butyl(dimethyl)silyl]oxypentyl]isoindole-1,3-dione?
2-[5-[tert-butyl(dimethyl)silyl]oxypentyl]isoindole-1,3-dione has a molecular weight of 347.53 g/mol, XLogP of 4.47, 7 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[5-[tert-butyl(dimethyl)silyl]oxypentyl]isoindole-1,3-dione is sourced from PubChem (CID 159105396), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).