[(3S)-3-[tert-butyl(dimethyl)silyl]oxy-5-oxocyclopenten-1-yl]methyl-triethylazanium

C18H36NO2Si+ — CID 58637017

IUPAC[(3S)-3-[tert-butyl(dimethyl)silyl]oxy-5-oxocyclopenten-1-yl]methyl-triethylazanium
SMILESCC[N+](CC)(CC)CC1=C[C@@H](O[Si](C)(C)C(C)(C)C)CC1=O
InChIInChI=1S/C18H36NO2Si/c1-9-19(10-2,11-3)14-15-12-16(13-17(15)20)21-22(7,8)18(4,5)6/h12,16H,9-11,13-14H2,1-8H3/q+1/t16-/m1/s1
InChIKeyGJOYRQSQPOFSNF-MRXNPFEDSA-N
MW326.58 g/mol
LogP4.15
Rot. Bonds7

About [(3S)-3-[tert-butyl(dimethyl)silyl]oxy-5-oxocyclopenten-1-yl]methyl-triethylazanium

[(3S)-3-[tert-butyl(dimethyl)silyl]oxy-5-oxocyclopenten-1-yl]methyl-triethylazanium (PubChem CID 58637017) has the molecular formula C18H36NO2Si+ and a molecular weight of 326.58 g/mol. Its IUPAC name is [(3S)-3-[tert-butyl(dimethyl)silyl]oxy-5-oxocyclopenten-1-yl]methyl-triethylazanium.

Molecular Properties

Compound Name[(3S)-3-[tert-butyl(dimethyl)silyl]oxy-5-oxocyclopenten-1-yl]methyl-triethylazanium
PubChem CID58637017
Molecular FormulaC18H36NO2Si+
Molecular Weight326.58 g/mol
Exact Mass326.25
IUPAC Name[(3S)-3-[tert-butyl(dimethyl)silyl]oxy-5-oxocyclopenten-1-yl]methyl-triethylazanium
SMILESCC[N+](CC)(CC)CC1=C[C@@H](O[Si](C)(C)C(C)(C)C)CC1=O
InChIInChI=1S/C18H36NO2Si/c1-9-19(10-2,11-3)14-15-12-16(13-17(15)20)21-22(7,8)18(4,5)6/h12,16H,9-11,13-14H2,1-8H3/q+1/t16-/m1/s1
InChIKeyGJOYRQSQPOFSNF-MRXNPFEDSA-N
XLogP4.15
TPSA26.30 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds7
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500326.58
LogP ≤ 54.15
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'heavy_metal', 'substructure': 'N/A'}, {'alert_name': 'quaternary_nitrogen_2', 'substructure': 'N/A'}

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Related Compounds

(4S)-2-bromo-4-[tert-butyl(dimethyl)silyl]oxycyclopent-2-en-1-one
CID 10708674
butyl 7-[(3R)-3-[tert-butyl(dimethyl)silyl]oxy-5-oxocyclopenten-1-yl]heptanoate
CID 11133051
[(Z)-6-[(3R)-3-[tert-butyl(dimethyl)silyl]oxy-5-oxocyclopenten-1-yl]hex-4-enyl] [tert-butyl(dimethyl)silyl]formate
CID 70589487
(4R)-4-[tert-butyl(dimethyl)silyl]oxy-2-[[[(2R)-2-(4-methylphenyl)sulfonylbutyl]diazenyl]methyl]cyclopent-2-en-1-one
CID 168967937
ethyl 7-[(3S)-3-[tert-butyl(dimethyl)silyl]oxy-5-oxocyclopenten-1-yl]sulfanylheptanoate
CID 22827429
2-(bromomethyl)-4-[tert-butyl(dimethyl)silyl]oxycyclopent-2-en-1-one;4-[tert-butyl(dimethyl)silyl]oxy-2-[(Z)-2-trimethylsilylnon-2-enyl]cyclopent-2-en-1-one;[(Z)-1-dimethylboranyloct-1-enyl]-trimethylsilane
CID 158198122
(4S)-4-[tert-butyl(dimethyl)silyl]oxy-2-ethyl-3-methylcyclopent-2-en-1-one
CID 67642304
[(3S)-3-[tert-butyl(dimethyl)silyl]oxycyclopenten-1-yl]methanol
CID 46193781
4-[tert-butyl(dimethyl)silyl]oxy-2-[(2E)-1-[tert-butyl(dimethyl)silyl]oxypenta-2,4-dien-2-yl]cyclohex-2-en-1-one
CID 11122706
methyl (E)-4-[3-[[3-[tert-butyl(dimethyl)silyl]oxy-5-oxocyclopenten-1-yl]methyl]-3-trimethylsilyloxiran-2-yl]but-2-enoate;methyl (2E,5Z)-7-[3-[tert-butyl(dimethyl)silyl]oxy-5-oxocyclopenten-1-yl]-6-trimethylsilylhepta-2,5-dienoate
CID 157425651
2-[7-[tert-butyl(dimethyl)silyl]oxyheptyl]-4-hydroxycyclopent-2-en-1-one
CID 139675795
(5S,6S,6aR)-5,6-bis[[tert-butyl(dimethyl)silyl]oxy]-4,5,6,6a-tetrahydro-1H-pentalen-2-one
CID 10643655

Frequently Asked Questions

What is the IUPAC name of [(3S)-3-[tert-butyl(dimethyl)silyl]oxy-5-oxocyclopenten-1-yl]methyl-triethylazanium?
The IUPAC name of [(3S)-3-[tert-butyl(dimethyl)silyl]oxy-5-oxocyclopenten-1-yl]methyl-triethylazanium (CID 58637017) is [(3S)-3-[tert-butyl(dimethyl)silyl]oxy-5-oxocyclopenten-1-yl]methyl-triethylazanium.
What is the SMILES notation for [(3S)-3-[tert-butyl(dimethyl)silyl]oxy-5-oxocyclopenten-1-yl]methyl-triethylazanium?
The canonical SMILES for [(3S)-3-[tert-butyl(dimethyl)silyl]oxy-5-oxocyclopenten-1-yl]methyl-triethylazanium is CC[N+](CC)(CC)CC1=C[C@@H](O[Si](C)(C)C(C)(C)C)CC1=O.
What is the InChIKey of [(3S)-3-[tert-butyl(dimethyl)silyl]oxy-5-oxocyclopenten-1-yl]methyl-triethylazanium?
The InChIKey is GJOYRQSQPOFSNF-MRXNPFEDSA-N. The full InChI is InChI=1S/C18H36NO2Si/c1-9-19(10-2,11-3)14-15-12-16(13-17(15)20)21-22(7,8)18(4,5)6/h12,16H,9-11,13-14H2,1-8H3/q+1/t16-/m1/s1.
What are the key properties of [(3S)-3-[tert-butyl(dimethyl)silyl]oxy-5-oxocyclopenten-1-yl]methyl-triethylazanium?
[(3S)-3-[tert-butyl(dimethyl)silyl]oxy-5-oxocyclopenten-1-yl]methyl-triethylazanium has a molecular weight of 326.58 g/mol, XLogP of 4.15, 7 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for [(3S)-3-[tert-butyl(dimethyl)silyl]oxy-5-oxocyclopenten-1-yl]methyl-triethylazanium is sourced from PubChem (CID 58637017), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).