(E,4R)-4-[tert-butyl(dimethyl)silyl]oxyhept-5-en-2-one

C13H26O2Si — CID 134889837

IUPAC(E,4R)-4-[tert-butyl(dimethyl)silyl]oxyhept-5-en-2-one
SMILESC/C=C/[C@@H](CC(C)=O)O[Si](C)(C)C(C)(C)C
InChIInChI=1S/C13H26O2Si/c1-8-9-12(10-11(2)14)15-16(6,7)13(3,4)5/h8-9,12H,10H2,1-7H3/b9-8+/t12-/m0/s1
InChIKeyNTPMGVWUMUDDES-BCPZQOPPSA-N
MW242.43 g/mol
LogP3.93
Rot. Bonds5

About (E,4R)-4-[tert-butyl(dimethyl)silyl]oxyhept-5-en-2-one

(E,4R)-4-[tert-butyl(dimethyl)silyl]oxyhept-5-en-2-one (PubChem CID 134889837) has the molecular formula C13H26O2Si and a molecular weight of 242.43 g/mol. Its IUPAC name is (E,4R)-4-[tert-butyl(dimethyl)silyl]oxyhept-5-en-2-one.

Molecular Properties

Compound Name(E,4R)-4-[tert-butyl(dimethyl)silyl]oxyhept-5-en-2-one
PubChem CID134889837
Molecular FormulaC13H26O2Si
Molecular Weight242.43 g/mol
Exact Mass242.17
IUPAC Name(E,4R)-4-[tert-butyl(dimethyl)silyl]oxyhept-5-en-2-one
SMILESC/C=C/[C@@H](CC(C)=O)O[Si](C)(C)C(C)(C)C
InChIInChI=1S/C13H26O2Si/c1-8-9-12(10-11(2)14)15-16(6,7)13(3,4)5/h8-9,12H,10H2,1-7H3/b9-8+/t12-/m0/s1
InChIKeyNTPMGVWUMUDDES-BCPZQOPPSA-N
XLogP3.93
TPSA26.30 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds5
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500242.43
LogP ≤ 53.93
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

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Related Compounds

(S)-4-tert-butyldimethylsilyloxy-2-cyclopenten-1-one
CID 10176717
4-((tert-Butyl(dimethyl)silyl)oxy)cyclopent-2-en-1-one
CID 4131699
4-Hexenal, 3-(t-butyldimethylsilyloxy)-
CID 5366923
(E,3R)-3-[tert-butyl(dimethyl)silyl]oxyhex-4-enal
CID 11138911
(4S)-4-{[tert-Butyl(dimethyl)silyl]oxy}-5,5-dimethylcyclopent-2-en-1-one
CID 12964897
(4R)-(+)-t-Butyldimethylsiloxy-2-cyclopenten-1-one
CID 2734530
(4R)-4-trimethylsilyloxycyclopent-2-en-1-one
CID 10844889
(E,3S)-3-[tert-butyl(dimethyl)silyl]oxy-2,2-dimethylhex-4-enal
CID 134967433
4-{[tert-Butyl(dimethyl)silyl]oxy}-3-fluorocyclopent-2-en-1-one
CID 14177367
(Z)-7-[tert-butyl(dimethyl)silyl]oxyhept-5-en-2-one
CID 11096806
(E,2R,3S)-3-[tert-butyl(dimethyl)silyl]oxy-2-methylhex-4-enal
CID 11184104
2-Cyclopenten-1-one, 4-[[tris(1-methylethyl)silyl]oxy]-, (4S)-
CID 11817669

Frequently Asked Questions

What is the IUPAC name of (E,4R)-4-[tert-butyl(dimethyl)silyl]oxyhept-5-en-2-one?
The IUPAC name of (E,4R)-4-[tert-butyl(dimethyl)silyl]oxyhept-5-en-2-one (CID 134889837) is (E,4R)-4-[tert-butyl(dimethyl)silyl]oxyhept-5-en-2-one.
What is the SMILES notation for (E,4R)-4-[tert-butyl(dimethyl)silyl]oxyhept-5-en-2-one?
The canonical SMILES for (E,4R)-4-[tert-butyl(dimethyl)silyl]oxyhept-5-en-2-one is C/C=C/[C@@H](CC(C)=O)O[Si](C)(C)C(C)(C)C.
What is the InChIKey of (E,4R)-4-[tert-butyl(dimethyl)silyl]oxyhept-5-en-2-one?
The InChIKey is NTPMGVWUMUDDES-BCPZQOPPSA-N. The full InChI is InChI=1S/C13H26O2Si/c1-8-9-12(10-11(2)14)15-16(6,7)13(3,4)5/h8-9,12H,10H2,1-7H3/b9-8+/t12-/m0/s1.
What are the key properties of (E,4R)-4-[tert-butyl(dimethyl)silyl]oxyhept-5-en-2-one?
(E,4R)-4-[tert-butyl(dimethyl)silyl]oxyhept-5-en-2-one has a molecular weight of 242.43 g/mol, XLogP of 3.93, 5 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for (E,4R)-4-[tert-butyl(dimethyl)silyl]oxyhept-5-en-2-one is sourced from PubChem (CID 134889837), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).