2-[(1R,2R)-2-tri(propan-2-yl)silyloxycyclopropyl]isoindole-1,3-dione

C20H29NO3Si — CID 42637666

IUPAC2-[(1R,2R)-2-tri(propan-2-yl)silyloxycyclopropyl]isoindole-1,3-dione
SMILESCC(C)[Si](O[C@@H]1C[C@H]1N1C(=O)c2ccccc2C1=O)(C(C)C)C(C)C
InChIInChI=1S/C20H29NO3Si/c1-12(2)25(13(3)4,14(5)6)24-18-11-17(18)21-19(22)15-9-7-8-10-16(15)20(21)23/h7-10,12-14,17-18H,11H2,1-6H3/t17-,18-/m1/s1
InChIKeyUKYWYRSJBNOMAR-QZTJIDSGSA-N
MW359.54 g/mol
LogP4.62
Rot. Bonds6

About 2-[(1R,2R)-2-tri(propan-2-yl)silyloxycyclopropyl]isoindole-1,3-dione

2-[(1R,2R)-2-tri(propan-2-yl)silyloxycyclopropyl]isoindole-1,3-dione (PubChem CID 42637666) has the molecular formula C20H29NO3Si and a molecular weight of 359.54 g/mol. Its IUPAC name is 2-[(1R,2R)-2-tri(propan-2-yl)silyloxycyclopropyl]isoindole-1,3-dione.

Molecular Properties

Compound Name2-[(1R,2R)-2-tri(propan-2-yl)silyloxycyclopropyl]isoindole-1,3-dione
PubChem CID42637666
Molecular FormulaC20H29NO3Si
Molecular Weight359.54 g/mol
Exact Mass359.19
IUPAC Name2-[(1R,2R)-2-tri(propan-2-yl)silyloxycyclopropyl]isoindole-1,3-dione
SMILESCC(C)[Si](O[C@@H]1C[C@H]1N1C(=O)c2ccccc2C1=O)(C(C)C)C(C)C
InChIInChI=1S/C20H29NO3Si/c1-12(2)25(13(3)4,14(5)6)24-18-11-17(18)21-19(22)15-9-7-8-10-16(15)20(21)23/h7-10,12-14,17-18H,11H2,1-6H3/t17-,18-/m1/s1
InChIKeyUKYWYRSJBNOMAR-QZTJIDSGSA-N
XLogP4.62
TPSA46.61 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500359.54
LogP ≤ 54.62
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

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Related Compounds

2-[2-(1,3-dioxoisoindol-2-yl)cyclohexyl]isoindole-1,3-dione
CID 2911337
2-[(1R,2S,4R,5S)-5-[tert-butyl(diphenyl)silyl]oxy-2-bicyclo[2.2.1]heptanyl]isoindole-1,3-dione
CID 58951233
2-[(4S)-4-methoxypyrrolidin-3-yl]isoindole-1,3-dione
CID 61350385
2-[(Z)-2-tri(propan-2-yl)silyloxyethenyl]isoindole-1,3-dione
CID 42637665
azane;2-(3-methoxycyclobutyl)isoindole-1,3-dione
CID 138706686
2-[2,6-bis(sulfanyl)piperidin-3-yl]isoindole-1,3-dione
CID 141111852
2-[(2S,5S,6R)-4-oxo-6-phenyl-2-[(1S)-1-tri(propan-2-yl)silyloxyethyl]-1,3-oxazinan-5-yl]isoindole-1,3-dione
CID 101130988
2-[(1R,2R,6S)-2-bicyclo[4.1.0]heptanyl]isoindole-1,3-dione
CID 102049318
2-(6-hydroxy-2-bicyclo[2.2.1]heptanyl)isoindole-1,3-dione
CID 175743610
2-(4-methylpyrrolidin-3-yl)isoindole-1,3-dione
CID 58030165
2-[(1R,2S,4S)-2-bicyclo[2.2.1]heptanyl]isoindole-1,3-dione
CID 11906128
2-(2-bicyclo[2.2.1]hept-5-enyl)isoindole-1,3-dione
CID 22573145

Frequently Asked Questions

What is the IUPAC name of 2-[(1R,2R)-2-tri(propan-2-yl)silyloxycyclopropyl]isoindole-1,3-dione?
The IUPAC name of 2-[(1R,2R)-2-tri(propan-2-yl)silyloxycyclopropyl]isoindole-1,3-dione (CID 42637666) is 2-[(1R,2R)-2-tri(propan-2-yl)silyloxycyclopropyl]isoindole-1,3-dione.
What is the SMILES notation for 2-[(1R,2R)-2-tri(propan-2-yl)silyloxycyclopropyl]isoindole-1,3-dione?
The canonical SMILES for 2-[(1R,2R)-2-tri(propan-2-yl)silyloxycyclopropyl]isoindole-1,3-dione is CC(C)[Si](O[C@@H]1C[C@H]1N1C(=O)c2ccccc2C1=O)(C(C)C)C(C)C.
What is the InChIKey of 2-[(1R,2R)-2-tri(propan-2-yl)silyloxycyclopropyl]isoindole-1,3-dione?
The InChIKey is UKYWYRSJBNOMAR-QZTJIDSGSA-N. The full InChI is InChI=1S/C20H29NO3Si/c1-12(2)25(13(3)4,14(5)6)24-18-11-17(18)21-19(22)15-9-7-8-10-16(15)20(21)23/h7-10,12-14,17-18H,11H2,1-6H3/t17-,18-/m1/s1.
What are the key properties of 2-[(1R,2R)-2-tri(propan-2-yl)silyloxycyclopropyl]isoindole-1,3-dione?
2-[(1R,2R)-2-tri(propan-2-yl)silyloxycyclopropyl]isoindole-1,3-dione has a molecular weight of 359.54 g/mol, XLogP of 4.62, 6 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[(1R,2R)-2-tri(propan-2-yl)silyloxycyclopropyl]isoindole-1,3-dione is sourced from PubChem (CID 42637666), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).