3,4,5,5-tetramethyl-2-tri(propan-2-yl)silylcyclopent-2-en-1-one

C18H34OSi — CID 15828918

IUPAC3,4,5,5-tetramethyl-2-tri(propan-2-yl)silylcyclopent-2-en-1-one
SMILESCC1=C([Si](C(C)C)(C(C)C)C(C)C)C(=O)C(C)(C)C1C
InChIInChI=1S/C18H34OSi/c1-11(2)20(12(3)4,13(5)6)16-14(7)15(8)18(9,10)17(16)19/h11-13,15H,1-10H3
InChIKeyBHWRJLVUPZWRED-UHFFFAOYSA-N
MW294.56 g/mol
LogP5.77
Rot. Bonds4

About 3,4,5,5-tetramethyl-2-tri(propan-2-yl)silylcyclopent-2-en-1-one

3,4,5,5-tetramethyl-2-tri(propan-2-yl)silylcyclopent-2-en-1-one (PubChem CID 15828918) has the molecular formula C18H34OSi and a molecular weight of 294.56 g/mol. Its IUPAC name is 3,4,5,5-tetramethyl-2-tri(propan-2-yl)silylcyclopent-2-en-1-one.

Molecular Properties

Compound Name3,4,5,5-tetramethyl-2-tri(propan-2-yl)silylcyclopent-2-en-1-one
PubChem CID15828918
Molecular FormulaC18H34OSi
Molecular Weight294.56 g/mol
Exact Mass294.24
IUPAC Name3,4,5,5-tetramethyl-2-tri(propan-2-yl)silylcyclopent-2-en-1-one
SMILESCC1=C([Si](C(C)C)(C(C)C)C(C)C)C(=O)C(C)(C)C1C
InChIInChI=1S/C18H34OSi/c1-11(2)20(12(3)4,13(5)6)16-14(7)15(8)18(9,10)17(16)19/h11-13,15H,1-10H3
InChIKeyBHWRJLVUPZWRED-UHFFFAOYSA-N
XLogP5.77
TPSA17.07 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds4
Heavy Atoms20
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500294.56
LogP ≤ 55.77
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 101

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of 3,4,5,5-tetramethyl-2-tri(propan-2-yl)silylcyclopent-2-en-1-one?
The IUPAC name of 3,4,5,5-tetramethyl-2-tri(propan-2-yl)silylcyclopent-2-en-1-one (CID 15828918) is 3,4,5,5-tetramethyl-2-tri(propan-2-yl)silylcyclopent-2-en-1-one.
What is the SMILES notation for 3,4,5,5-tetramethyl-2-tri(propan-2-yl)silylcyclopent-2-en-1-one?
The canonical SMILES for 3,4,5,5-tetramethyl-2-tri(propan-2-yl)silylcyclopent-2-en-1-one is CC1=C([Si](C(C)C)(C(C)C)C(C)C)C(=O)C(C)(C)C1C.
What is the InChIKey of 3,4,5,5-tetramethyl-2-tri(propan-2-yl)silylcyclopent-2-en-1-one?
The InChIKey is BHWRJLVUPZWRED-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H34OSi/c1-11(2)20(12(3)4,13(5)6)16-14(7)15(8)18(9,10)17(16)19/h11-13,15H,1-10H3.
What are the key properties of 3,4,5,5-tetramethyl-2-tri(propan-2-yl)silylcyclopent-2-en-1-one?
3,4,5,5-tetramethyl-2-tri(propan-2-yl)silylcyclopent-2-en-1-one has a molecular weight of 294.56 g/mol, XLogP of 5.77, 4 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 3,4,5,5-tetramethyl-2-tri(propan-2-yl)silylcyclopent-2-en-1-one is sourced from PubChem (CID 15828918), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).