(4S)-4-[tert-butyl(dimethyl)silyl]oxy-2-[(4R)-4-triethylsilyloxypentanoyl]cyclopent-2-en-1-one

C22H42O4Si2 — CID 71544953

IUPAC(4S)-4-[tert-butyl(dimethyl)silyl]oxy-2-[(4R)-4-triethylsilyloxypentanoyl]cyclopent-2-en-1-one
SMILESCC[Si](CC)(CC)O[C@H](C)CCC(=O)C1=C[C@@H](O[Si](C)(C)C(C)(C)C)CC1=O
InChIInChI=1S/C22H42O4Si2/c1-10-28(11-2,12-3)25-17(4)13-14-20(23)19-15-18(16-21(19)24)26-27(8,9)22(5,6)7/h15,17-18H,10-14,16H2,1-9H3/t17-,18-/m1/s1
InChIKeyUAYIRIVOUBVVHQ-QZTJIDSGSA-N
MW426.75 g/mol
LogP6.04
Rot. Bonds11

About (4S)-4-[tert-butyl(dimethyl)silyl]oxy-2-[(4R)-4-triethylsilyloxypentanoyl]cyclopent-2-en-1-one

(4S)-4-[tert-butyl(dimethyl)silyl]oxy-2-[(4R)-4-triethylsilyloxypentanoyl]cyclopent-2-en-1-one (PubChem CID 71544953) has the molecular formula C22H42O4Si2 and a molecular weight of 426.75 g/mol. Its IUPAC name is (4S)-4-[tert-butyl(dimethyl)silyl]oxy-2-[(4R)-4-triethylsilyloxypentanoyl]cyclopent-2-en-1-one.

Molecular Properties

Compound Name(4S)-4-[tert-butyl(dimethyl)silyl]oxy-2-[(4R)-4-triethylsilyloxypentanoyl]cyclopent-2-en-1-one
PubChem CID71544953
Molecular FormulaC22H42O4Si2
Molecular Weight426.75 g/mol
Exact Mass426.26
IUPAC Name(4S)-4-[tert-butyl(dimethyl)silyl]oxy-2-[(4R)-4-triethylsilyloxypentanoyl]cyclopent-2-en-1-one
SMILESCC[Si](CC)(CC)O[C@H](C)CCC(=O)C1=C[C@@H](O[Si](C)(C)C(C)(C)C)CC1=O
InChIInChI=1S/C22H42O4Si2/c1-10-28(11-2,12-3)25-17(4)13-14-20(23)19-15-18(16-21(19)24)26-27(8,9)22(5,6)7/h15,17-18H,10-14,16H2,1-9H3/t17-,18-/m1/s1
InChIKeyUAYIRIVOUBVVHQ-QZTJIDSGSA-N
XLogP6.04
TPSA52.60 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds11
Heavy Atoms28
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500426.75
LogP ≤ 56.04
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'heavy_metal', 'substructure': 'N/A'}, {'alert_name': 'Michael_acceptor_4', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of (4S)-4-[tert-butyl(dimethyl)silyl]oxy-2-[(4R)-4-triethylsilyloxypentanoyl]cyclopent-2-en-1-one?
The IUPAC name of (4S)-4-[tert-butyl(dimethyl)silyl]oxy-2-[(4R)-4-triethylsilyloxypentanoyl]cyclopent-2-en-1-one (CID 71544953) is (4S)-4-[tert-butyl(dimethyl)silyl]oxy-2-[(4R)-4-triethylsilyloxypentanoyl]cyclopent-2-en-1-one.
What is the SMILES notation for (4S)-4-[tert-butyl(dimethyl)silyl]oxy-2-[(4R)-4-triethylsilyloxypentanoyl]cyclopent-2-en-1-one?
The canonical SMILES for (4S)-4-[tert-butyl(dimethyl)silyl]oxy-2-[(4R)-4-triethylsilyloxypentanoyl]cyclopent-2-en-1-one is CC[Si](CC)(CC)O[C@H](C)CCC(=O)C1=C[C@@H](O[Si](C)(C)C(C)(C)C)CC1=O.
What is the InChIKey of (4S)-4-[tert-butyl(dimethyl)silyl]oxy-2-[(4R)-4-triethylsilyloxypentanoyl]cyclopent-2-en-1-one?
The InChIKey is UAYIRIVOUBVVHQ-QZTJIDSGSA-N. The full InChI is InChI=1S/C22H42O4Si2/c1-10-28(11-2,12-3)25-17(4)13-14-20(23)19-15-18(16-21(19)24)26-27(8,9)22(5,6)7/h15,17-18H,10-14,16H2,1-9H3/t17-,18-/m1/s1.
What are the key properties of (4S)-4-[tert-butyl(dimethyl)silyl]oxy-2-[(4R)-4-triethylsilyloxypentanoyl]cyclopent-2-en-1-one?
(4S)-4-[tert-butyl(dimethyl)silyl]oxy-2-[(4R)-4-triethylsilyloxypentanoyl]cyclopent-2-en-1-one has a molecular weight of 426.75 g/mol, XLogP of 6.04, 11 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for (4S)-4-[tert-butyl(dimethyl)silyl]oxy-2-[(4R)-4-triethylsilyloxypentanoyl]cyclopent-2-en-1-one is sourced from PubChem (CID 71544953), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).