3-[tert-butyl(dimethyl)silyl]-5,5-bis[[tert-butyl(dimethyl)silyl]oxymethyl]-1,4-dihydropentalen-2-one

C28H54O3Si3 — CID 10940310

IUPAC3-[tert-butyl(dimethyl)silyl]-5,5-bis[[tert-butyl(dimethyl)silyl]oxymethyl]-1,4-dihydropentalen-2-one
SMILESCC(C)(C)[Si](C)(C)OCC1(CO[Si](C)(C)C(C)(C)C)C=C2CC(=O)C([Si](C)(C)C(C)(C)C)=C2C1
InChIInChI=1S/C28H54O3Si3/c1-25(2,3)32(10,11)24-22-18-28(17-21(22)16-23(24)29,19-30-33(12,13)26(4,5)6)20-31-34(14,15)27(7,8)9/h17H,16,18-20H2,1-15H3
InChIKeyLMUGPMHKWQJLNX-UHFFFAOYSA-N
MW523.00 g/mol
LogP8.66
Rot. Bonds7

About 3-[tert-butyl(dimethyl)silyl]-5,5-bis[[tert-butyl(dimethyl)silyl]oxymethyl]-1,4-dihydropentalen-2-one

3-[tert-butyl(dimethyl)silyl]-5,5-bis[[tert-butyl(dimethyl)silyl]oxymethyl]-1,4-dihydropentalen-2-one (PubChem CID 10940310) has the molecular formula C28H54O3Si3 and a molecular weight of 523.00 g/mol. Its IUPAC name is 3-[tert-butyl(dimethyl)silyl]-5,5-bis[[tert-butyl(dimethyl)silyl]oxymethyl]-1,4-dihydropentalen-2-one.

Molecular Properties

Compound Name3-[tert-butyl(dimethyl)silyl]-5,5-bis[[tert-butyl(dimethyl)silyl]oxymethyl]-1,4-dihydropentalen-2-one
PubChem CID10940310
Molecular FormulaC28H54O3Si3
Molecular Weight523.00 g/mol
Exact Mass522.34
IUPAC Name3-[tert-butyl(dimethyl)silyl]-5,5-bis[[tert-butyl(dimethyl)silyl]oxymethyl]-1,4-dihydropentalen-2-one
SMILESCC(C)(C)[Si](C)(C)OCC1(CO[Si](C)(C)C(C)(C)C)C=C2CC(=O)C([Si](C)(C)C(C)(C)C)=C2C1
InChIInChI=1S/C28H54O3Si3/c1-25(2,3)32(10,11)24-22-18-28(17-21(22)16-23(24)29,19-30-33(12,13)26(4,5)6)20-31-34(14,15)27(7,8)9/h17H,16,18-20H2,1-15H3
InChIKeyLMUGPMHKWQJLNX-UHFFFAOYSA-N
XLogP8.66
TPSA35.53 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds7
Heavy Atoms34
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500523.00
LogP ≤ 58.66
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

Analyze 3-[tert-butyl(dimethyl)silyl]-5,5-bis[[tert-butyl(dimethyl)silyl]oxymethyl]-1,4-dihydropentalen-2-one with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

(4S)-4-[[tert-butyl(dimethyl)silyl]oxymethyl]-4-methyl-2-propan-2-ylcyclopent-2-en-1-one
CID 14136544
4-[[tert-butyl(dimethyl)silyl]oxymethyl]-4-methylpyrrolidin-2-one
CID 153401151
4-[[tert-butyl(dimethyl)silyl]oxymethyl]-1,4-dimethylpyrrolidin-2-one
CID 153401170
(2aR,7aS)-7a-[[tert-butyl(dimethyl)silyl]oxymethyl]-2a-methyl-2,7-dihydrocyclobuta[a]inden-1-one
CID 11666836
(3aS,7aR)-3a-[[tert-butyl(dimethyl)silyl]oxymethyl]-6,7a-dimethyl-2,3,4,5-tetrahydroinden-1-one
CID 11130650
[1-[[tert-butyl(dimethyl)silyl]oxymethyl]cyclopropyl] formate
CID 88528246
3-[[tert-butyl(dimethyl)silyl]oxymethyl]oxetan-3-amine
CID 171692296
1,5-bis[[tert-butyl(dimethyl)silyl]oxymethyl]-2,4-dichloro-8-oxabicyclo[3.2.1]oct-6-en-3-one
CID 172628559
3-[[tert-butyl(dimethyl)silyl]oxymethyl]cyclopent-2-en-1-one
CID 15649271
2-but-3-enyl-2-[[tert-butyl(dimethyl)silyl]oxymethyl]cyclohexane-1,3-dione
CID 101240480
(4R,5S)-4-[(E)-but-2-enyl]-5-[[tert-butyl(dimethyl)silyl]oxymethyl]-3,5-dimethylcyclohex-2-en-1-one
CID 101260348
(4R)-4-[2-[tert-butyl(dimethyl)silyl]oxyethyl]-4-methyloxetan-2-one
CID 162507915

Frequently Asked Questions

What is the IUPAC name of 3-[tert-butyl(dimethyl)silyl]-5,5-bis[[tert-butyl(dimethyl)silyl]oxymethyl]-1,4-dihydropentalen-2-one?
The IUPAC name of 3-[tert-butyl(dimethyl)silyl]-5,5-bis[[tert-butyl(dimethyl)silyl]oxymethyl]-1,4-dihydropentalen-2-one (CID 10940310) is 3-[tert-butyl(dimethyl)silyl]-5,5-bis[[tert-butyl(dimethyl)silyl]oxymethyl]-1,4-dihydropentalen-2-one.
What is the SMILES notation for 3-[tert-butyl(dimethyl)silyl]-5,5-bis[[tert-butyl(dimethyl)silyl]oxymethyl]-1,4-dihydropentalen-2-one?
The canonical SMILES for 3-[tert-butyl(dimethyl)silyl]-5,5-bis[[tert-butyl(dimethyl)silyl]oxymethyl]-1,4-dihydropentalen-2-one is CC(C)(C)[Si](C)(C)OCC1(CO[Si](C)(C)C(C)(C)C)C=C2CC(=O)C([Si](C)(C)C(C)(C)C)=C2C1.
What is the InChIKey of 3-[tert-butyl(dimethyl)silyl]-5,5-bis[[tert-butyl(dimethyl)silyl]oxymethyl]-1,4-dihydropentalen-2-one?
The InChIKey is LMUGPMHKWQJLNX-UHFFFAOYSA-N. The full InChI is InChI=1S/C28H54O3Si3/c1-25(2,3)32(10,11)24-22-18-28(17-21(22)16-23(24)29,19-30-33(12,13)26(4,5)6)20-31-34(14,15)27(7,8)9/h17H,16,18-20H2,1-15H3.
What are the key properties of 3-[tert-butyl(dimethyl)silyl]-5,5-bis[[tert-butyl(dimethyl)silyl]oxymethyl]-1,4-dihydropentalen-2-one?
3-[tert-butyl(dimethyl)silyl]-5,5-bis[[tert-butyl(dimethyl)silyl]oxymethyl]-1,4-dihydropentalen-2-one has a molecular weight of 523.00 g/mol, XLogP of 8.66, 7 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 3-[tert-butyl(dimethyl)silyl]-5,5-bis[[tert-butyl(dimethyl)silyl]oxymethyl]-1,4-dihydropentalen-2-one is sourced from PubChem (CID 10940310), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).