4-[tert-butyl(dimethyl)silyl]oxy-2-prop-2-enyl-3-trimethylsilylcarbonylcyclopentan-1-one

C18H34O3Si2 — CID 139655439

IUPAC4-[tert-butyl(dimethyl)silyl]oxy-2-prop-2-enyl-3-trimethylsilylcarbonylcyclopentan-1-one
SMILESC=CCC1C(=O)CC(O[Si](C)(C)C(C)(C)C)C1C(=O)[Si](C)(C)C
InChIInChI=1S/C18H34O3Si2/c1-10-11-13-14(19)12-15(16(13)17(20)22(5,6)7)21-23(8,9)18(2,3)4/h10,13,15-16H,1,11-12H2,2-9H3
InChIKeyLDTOGZWBMJBOEW-UHFFFAOYSA-N
MW354.64 g/mol
LogP4.60
Rot. Bonds6

About 4-[tert-butyl(dimethyl)silyl]oxy-2-prop-2-enyl-3-trimethylsilylcarbonylcyclopentan-1-one

4-[tert-butyl(dimethyl)silyl]oxy-2-prop-2-enyl-3-trimethylsilylcarbonylcyclopentan-1-one (PubChem CID 139655439) has the molecular formula C18H34O3Si2 and a molecular weight of 354.64 g/mol. Its IUPAC name is 4-[tert-butyl(dimethyl)silyl]oxy-2-prop-2-enyl-3-trimethylsilylcarbonylcyclopentan-1-one.

Molecular Properties

Compound Name4-[tert-butyl(dimethyl)silyl]oxy-2-prop-2-enyl-3-trimethylsilylcarbonylcyclopentan-1-one
PubChem CID139655439
Molecular FormulaC18H34O3Si2
Molecular Weight354.64 g/mol
Exact Mass354.20
IUPAC Name4-[tert-butyl(dimethyl)silyl]oxy-2-prop-2-enyl-3-trimethylsilylcarbonylcyclopentan-1-one
SMILESC=CCC1C(=O)CC(O[Si](C)(C)C(C)(C)C)C1C(=O)[Si](C)(C)C
InChIInChI=1S/C18H34O3Si2/c1-10-11-13-14(19)12-15(16(13)17(20)22(5,6)7)21-23(8,9)18(2,3)4/h10,13,15-16H,1,11-12H2,2-9H3
InChIKeyLDTOGZWBMJBOEW-UHFFFAOYSA-N
XLogP4.60
TPSA43.37 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500354.64
LogP ≤ 54.60
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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

propan-2-yl (Z)-7-[(1R,2S,3R)-2-[(E)-but-2-en-2-yl]-3-[tert-butyl(dimethyl)silyl]oxy-5-oxocyclopentyl]hept-5-enoate
CID 154404406
methyl (1S,2R,3S)-3-[tert-butyl(dimethyl)silyl]oxy-5-oxo-2-prop-2-enylcyclohexane-1-carboxylate
CID 102066658
4-[tert-butyl(dimethyl)silyl]oxy-3-[(E,3R)-3-[tert-butyl(dimethyl)silyl]oxynon-1-enyl]-2-prop-2-enylcyclopentan-1-one
CID 70506808
(2R,3S,4S)-4-[tert-butyl(dimethyl)silyl]oxy-3-[4-[1-[tert-butyl(dimethyl)silyl]oxyhexyl]phenyl]-2-prop-2-enylcyclopentan-1-one
CID 146031623
(1S,4R,5R)-4-[tert-butyl(dimethyl)silyl]oxy-8,8-dimethyl-7-prop-2-enylbicyclo[3.2.1]octan-6-one
CID 11427266
3-[tert-butyl(dimethyl)silyl]oxy-2-methylcyclobutan-1-one
CID 14034886
5-[tert-butyl(dimethyl)silyl]oxy-6-methyl-1-prop-2-enylpiperidin-2-one
CID 75045772
(2S,3R,4S)-3-[[tert-butyl(dimethyl)silyl]oxymethyl]-4-(oxan-2-yloxy)-2-prop-2-enylcyclopentan-1-one
CID 18605961
7-[(1S,2S,3S)-3-[tert-butyl(dimethyl)silyl]oxy-2-formyl-5-oxocyclopentyl]heptanoic acid
CID 18594733
1-[(3S,4S)-3,4-bis[[tert-butyl(dimethyl)silyl]oxy]pyrrolidin-1-yl]prop-2-en-1-one
CID 102367454
methyl (2S,4R,5R)-4-[tert-butyl(dimethyl)silyl]oxy-5-prop-2-enylpyrrolidine-2-carboxylate
CID 138966247
(3R)-3-[tert-butyl(dimethyl)silyl]oxy-1-prop-2-enylpiperidine-2,6-dione
CID 46844725

Frequently Asked Questions

What is the IUPAC name of 4-[tert-butyl(dimethyl)silyl]oxy-2-prop-2-enyl-3-trimethylsilylcarbonylcyclopentan-1-one?
The IUPAC name of 4-[tert-butyl(dimethyl)silyl]oxy-2-prop-2-enyl-3-trimethylsilylcarbonylcyclopentan-1-one (CID 139655439) is 4-[tert-butyl(dimethyl)silyl]oxy-2-prop-2-enyl-3-trimethylsilylcarbonylcyclopentan-1-one.
What is the SMILES notation for 4-[tert-butyl(dimethyl)silyl]oxy-2-prop-2-enyl-3-trimethylsilylcarbonylcyclopentan-1-one?
The canonical SMILES for 4-[tert-butyl(dimethyl)silyl]oxy-2-prop-2-enyl-3-trimethylsilylcarbonylcyclopentan-1-one is C=CCC1C(=O)CC(O[Si](C)(C)C(C)(C)C)C1C(=O)[Si](C)(C)C.
What is the InChIKey of 4-[tert-butyl(dimethyl)silyl]oxy-2-prop-2-enyl-3-trimethylsilylcarbonylcyclopentan-1-one?
The InChIKey is LDTOGZWBMJBOEW-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H34O3Si2/c1-10-11-13-14(19)12-15(16(13)17(20)22(5,6)7)21-23(8,9)18(2,3)4/h10,13,15-16H,1,11-12H2,2-9H3.
What are the key properties of 4-[tert-butyl(dimethyl)silyl]oxy-2-prop-2-enyl-3-trimethylsilylcarbonylcyclopentan-1-one?
4-[tert-butyl(dimethyl)silyl]oxy-2-prop-2-enyl-3-trimethylsilylcarbonylcyclopentan-1-one has a molecular weight of 354.64 g/mol, XLogP of 4.60, 6 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 4-[tert-butyl(dimethyl)silyl]oxy-2-prop-2-enyl-3-trimethylsilylcarbonylcyclopentan-1-one is sourced from PubChem (CID 139655439), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).