4-[tert-butyl(dimethyl)silyl]oxy-2-[[tert-butyl(dimethyl)silyl]oxymethyl]-3-methylcyclopent-2-en-1-one

C19H38O3Si2 — CID 11793552

IUPAC4-[tert-butyl(dimethyl)silyl]oxy-2-[[tert-butyl(dimethyl)silyl]oxymethyl]-3-methylcyclopent-2-en-1-one
SMILESCC1=C(CO[Si](C)(C)C(C)(C)C)C(=O)CC1O[Si](C)(C)C(C)(C)C
InChIInChI=1S/C19H38O3Si2/c1-14-15(13-21-23(8,9)18(2,3)4)16(20)12-17(14)22-24(10,11)19(5,6)7/h17H,12-13H2,1-11H3
InChIKeyPTKVYGSZNFHJID-UHFFFAOYSA-N
MW370.68 g/mol
LogP5.69
Rot. Bonds5

About 4-[tert-butyl(dimethyl)silyl]oxy-2-[[tert-butyl(dimethyl)silyl]oxymethyl]-3-methylcyclopent-2-en-1-one

4-[tert-butyl(dimethyl)silyl]oxy-2-[[tert-butyl(dimethyl)silyl]oxymethyl]-3-methylcyclopent-2-en-1-one (PubChem CID 11793552) has the molecular formula C19H38O3Si2 and a molecular weight of 370.68 g/mol. Its IUPAC name is 4-[tert-butyl(dimethyl)silyl]oxy-2-[[tert-butyl(dimethyl)silyl]oxymethyl]-3-methylcyclopent-2-en-1-one.

Molecular Properties

Compound Name4-[tert-butyl(dimethyl)silyl]oxy-2-[[tert-butyl(dimethyl)silyl]oxymethyl]-3-methylcyclopent-2-en-1-one
PubChem CID11793552
Molecular FormulaC19H38O3Si2
Molecular Weight370.68 g/mol
Exact Mass370.24
IUPAC Name4-[tert-butyl(dimethyl)silyl]oxy-2-[[tert-butyl(dimethyl)silyl]oxymethyl]-3-methylcyclopent-2-en-1-one
SMILESCC1=C(CO[Si](C)(C)C(C)(C)C)C(=O)CC1O[Si](C)(C)C(C)(C)C
InChIInChI=1S/C19H38O3Si2/c1-14-15(13-21-23(8,9)18(2,3)4)16(20)12-17(14)22-24(10,11)19(5,6)7/h17H,12-13H2,1-11H3
InChIKeyPTKVYGSZNFHJID-UHFFFAOYSA-N
XLogP5.69
TPSA35.53 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms24
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500370.68
LogP ≤ 55.69
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

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Related Compounds

(4S)-4-[tert-butyl(dimethyl)silyl]oxy-2-ethyl-3-methylcyclopent-2-en-1-one
CID 67642304
tert-butyl-(3-ethyl-2-methyl-4-methylidenecyclopent-2-en-1-yl)oxy-dimethylsilane
CID 54280344
(3S)-3-[tert-butyl(dimethyl)silyl]oxy-2,3-dihydroinden-1-one
CID 101128093
(5R)-4-[tert-butyl(dimethyl)silyl]oxy-5-[[tert-butyl(dimethyl)silyl]oxymethyl]oxolan-2-one
CID 15633274
2-[tert-butyl(dimethyl)silyl]oxycycloheptan-1-one
CID 14396580
2-[[tert-butyl(dimethyl)silyl]oxymethyl]-3,4-dimethyl-5-oxo-2,6-dihydropyridine-1-carboxylic acid
CID 161325711
3-[tert-butyl(dimethyl)silyl]oxy-2,6,6-trimethyl-5-methylidenecyclohexene-1-carbaldehyde
CID 11022793
cis-(3S,5R)-3,5-bis[[tert-butyl(dimethyl)silyl]oxy]-4-[2-[tert-butyl(dimethyl)silyl]oxyethyl]cyclohexan-1-one
CID 91867075
4-[tert-butyl(dimethyl)silyl]oxy-3-hydroxycyclopent-2-en-1-one
CID 14070870
(4S)-4-[tert-butyl(dimethyl)silyl]oxypyrrolidin-3-one
CID 68797298
8-[[tert-butyl(dimethyl)silyl]oxymethyl]-3,9-dimethyl-3,4-dihydro-2H-oxepino[3,2-f]indol-5-one
CID 71282247
5-[tert-butyl(dimethyl)silyl]oxycyclopent-2-en-1-one
CID 13057933

Frequently Asked Questions

What is the IUPAC name of 4-[tert-butyl(dimethyl)silyl]oxy-2-[[tert-butyl(dimethyl)silyl]oxymethyl]-3-methylcyclopent-2-en-1-one?
The IUPAC name of 4-[tert-butyl(dimethyl)silyl]oxy-2-[[tert-butyl(dimethyl)silyl]oxymethyl]-3-methylcyclopent-2-en-1-one (CID 11793552) is 4-[tert-butyl(dimethyl)silyl]oxy-2-[[tert-butyl(dimethyl)silyl]oxymethyl]-3-methylcyclopent-2-en-1-one.
What is the SMILES notation for 4-[tert-butyl(dimethyl)silyl]oxy-2-[[tert-butyl(dimethyl)silyl]oxymethyl]-3-methylcyclopent-2-en-1-one?
The canonical SMILES for 4-[tert-butyl(dimethyl)silyl]oxy-2-[[tert-butyl(dimethyl)silyl]oxymethyl]-3-methylcyclopent-2-en-1-one is CC1=C(CO[Si](C)(C)C(C)(C)C)C(=O)CC1O[Si](C)(C)C(C)(C)C.
What is the InChIKey of 4-[tert-butyl(dimethyl)silyl]oxy-2-[[tert-butyl(dimethyl)silyl]oxymethyl]-3-methylcyclopent-2-en-1-one?
The InChIKey is PTKVYGSZNFHJID-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H38O3Si2/c1-14-15(13-21-23(8,9)18(2,3)4)16(20)12-17(14)22-24(10,11)19(5,6)7/h17H,12-13H2,1-11H3.
What are the key properties of 4-[tert-butyl(dimethyl)silyl]oxy-2-[[tert-butyl(dimethyl)silyl]oxymethyl]-3-methylcyclopent-2-en-1-one?
4-[tert-butyl(dimethyl)silyl]oxy-2-[[tert-butyl(dimethyl)silyl]oxymethyl]-3-methylcyclopent-2-en-1-one has a molecular weight of 370.68 g/mol, XLogP of 5.69, 5 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-[[tert-butyl(dimethyl)silyl]oxymethyl]-3-methylcyclopent-2-en-1-one is sourced from PubChem (CID 11793552), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).