(4E,6R,7R)-4-[tert-butyl(dimethyl)silyl]oxy-7-propyl-6-trimethylsilylcyclooct-4-en-1-one

C20H40O2Si2 — CID 135067248

IUPAC(4E,6R,7R)-4-[tert-butyl(dimethyl)silyl]oxy-7-propyl-6-trimethylsilylcyclooct-4-en-1-one
SMILESCCC[C@@H]1CC(=O)CC/C(O[Si](C)(C)C(C)(C)C)=C\[C@@H]1[Si](C)(C)C
InChIInChI=1S/C20H40O2Si2/c1-10-11-16-14-17(21)12-13-18(15-19(16)23(5,6)7)22-24(8,9)20(2,3)4/h15-16,19H,10-14H2,1-9H3/b18-15+/t16-,19+/m1/s1
InChIKeyJIZOEHGDPDWHMZ-JCNNABAYSA-N
MW368.71 g/mol
LogP6.77
Rot. Bonds5

About (4E,6R,7R)-4-[tert-butyl(dimethyl)silyl]oxy-7-propyl-6-trimethylsilylcyclooct-4-en-1-one

(4E,6R,7R)-4-[tert-butyl(dimethyl)silyl]oxy-7-propyl-6-trimethylsilylcyclooct-4-en-1-one (PubChem CID 135067248) has the molecular formula C20H40O2Si2 and a molecular weight of 368.71 g/mol. Its IUPAC name is (4E,6R,7R)-4-[tert-butyl(dimethyl)silyl]oxy-7-propyl-6-trimethylsilylcyclooct-4-en-1-one.

Molecular Properties

Compound Name(4E,6R,7R)-4-[tert-butyl(dimethyl)silyl]oxy-7-propyl-6-trimethylsilylcyclooct-4-en-1-one
PubChem CID135067248
Molecular FormulaC20H40O2Si2
Molecular Weight368.71 g/mol
Exact Mass368.26
IUPAC Name(4E,6R,7R)-4-[tert-butyl(dimethyl)silyl]oxy-7-propyl-6-trimethylsilylcyclooct-4-en-1-one
SMILESCCC[C@@H]1CC(=O)CC/C(O[Si](C)(C)C(C)(C)C)=C\[C@@H]1[Si](C)(C)C
InChIInChI=1S/C20H40O2Si2/c1-10-11-16-14-17(21)12-13-18(15-19(16)23(5,6)7)22-24(8,9)20(2,3)4/h15-16,19H,10-14H2,1-9H3/b18-15+/t16-,19+/m1/s1
InChIKeyJIZOEHGDPDWHMZ-JCNNABAYSA-N
XLogP6.77
TPSA26.30 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds5
Heavy Atoms24
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500368.71
LogP ≤ 56.77
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

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Related Compounds

(4E,6R,7S)-4-[tert-butyl(dimethyl)silyl]oxy-7-cyclohexyl-6-trimethylsilylcyclooct-4-en-1-one
CID 11395717
(4E,6R,7R)-4-[tert-butyl(dimethyl)silyl]oxy-7-methyl-6-trimethylsilylcyclooct-4-en-1-one
CID 101071574
1-[(1R,2S,5S)-2,5-dimethyl-4-tri(propan-2-yl)silyloxycyclohex-3-en-1-yl]propan-1-one
CID 102257272
1-[(1R,2S,5S)-4-[tert-butyl(dimethyl)silyl]oxy-2,5-dimethylcyclohex-3-en-1-yl]propan-1-one
CID 102257278
(4E,6R,7R)-4-[tert-butyl(dimethyl)silyl]oxy-7-heptyl-6-trimethylsilylcyclooct-4-en-1-one
CID 135068100
(1S,4R,5S)-2-[tert-butyl(dimethyl)silyl]oxy-4-trimethylsilylbicyclo[3.3.2]dec-2-en-9-one
CID 135068591
2-[3-[Tert-butyl(dimethyl)silyl]oxycyclohex-2-en-1-yl]cyclohexan-1-one
CID 164667305
6-Tri(propan-2-yl)silyloxycycloundec-6-en-1-one
CID 123248744
3-[(E)-3-tert-butyl-1-dimethylsilyloxyundec-1-enyl]cyclohexan-1-one
CID 173336371
3-[(E)-3-tert-butyl-1-dimethylsilyloxyoct-1-enyl]cyclohexan-1-one
CID 173336589
3-[(E)-3-tert-butyl-1-dimethylsilyloxydec-1-enyl]cyclohexan-1-one
CID 173336612
(3aE)-2-[tert-butyl(dimethyl)silyl]oxy-3,5,5-trimethyl-6,7,9,9a-tetrahydro-1H-cyclopenta[8]annulen-8-one
CID 10711812

Frequently Asked Questions

What is the IUPAC name of (4E,6R,7R)-4-[tert-butyl(dimethyl)silyl]oxy-7-propyl-6-trimethylsilylcyclooct-4-en-1-one?
The IUPAC name of (4E,6R,7R)-4-[tert-butyl(dimethyl)silyl]oxy-7-propyl-6-trimethylsilylcyclooct-4-en-1-one (CID 135067248) is (4E,6R,7R)-4-[tert-butyl(dimethyl)silyl]oxy-7-propyl-6-trimethylsilylcyclooct-4-en-1-one.
What is the SMILES notation for (4E,6R,7R)-4-[tert-butyl(dimethyl)silyl]oxy-7-propyl-6-trimethylsilylcyclooct-4-en-1-one?
The canonical SMILES for (4E,6R,7R)-4-[tert-butyl(dimethyl)silyl]oxy-7-propyl-6-trimethylsilylcyclooct-4-en-1-one is CCC[C@@H]1CC(=O)CC/C(O[Si](C)(C)C(C)(C)C)=C\[C@@H]1[Si](C)(C)C.
What is the InChIKey of (4E,6R,7R)-4-[tert-butyl(dimethyl)silyl]oxy-7-propyl-6-trimethylsilylcyclooct-4-en-1-one?
The InChIKey is JIZOEHGDPDWHMZ-JCNNABAYSA-N. The full InChI is InChI=1S/C20H40O2Si2/c1-10-11-16-14-17(21)12-13-18(15-19(16)23(5,6)7)22-24(8,9)20(2,3)4/h15-16,19H,10-14H2,1-9H3/b18-15+/t16-,19+/m1/s1.
What are the key properties of (4E,6R,7R)-4-[tert-butyl(dimethyl)silyl]oxy-7-propyl-6-trimethylsilylcyclooct-4-en-1-one?
(4E,6R,7R)-4-[tert-butyl(dimethyl)silyl]oxy-7-propyl-6-trimethylsilylcyclooct-4-en-1-one has a molecular weight of 368.71 g/mol, XLogP of 6.77, 5 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for (4E,6R,7R)-4-[tert-butyl(dimethyl)silyl]oxy-7-propyl-6-trimethylsilylcyclooct-4-en-1-one is sourced from PubChem (CID 135067248), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).