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

C16H30OSi — CID 15828916

IUPAC3,4-dimethyl-2-tri(propan-2-yl)silylcyclopent-2-en-1-one
SMILESCC1=C([Si](C(C)C)(C(C)C)C(C)C)C(=O)CC1C
InChIInChI=1S/C16H30OSi/c1-10(2)18(11(3)4,12(5)6)16-14(8)13(7)9-15(16)17/h10-13H,9H2,1-8H3
InChIKeyIHXKPTIQZMMINY-UHFFFAOYSA-N
MW266.50 g/mol
LogP5.13
Rot. Bonds4

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

3,4-dimethyl-2-tri(propan-2-yl)silylcyclopent-2-en-1-one (PubChem CID 15828916) has the molecular formula C16H30OSi and a molecular weight of 266.50 g/mol. Its IUPAC name is 3,4-dimethyl-2-tri(propan-2-yl)silylcyclopent-2-en-1-one.

Molecular Properties

Compound Name3,4-dimethyl-2-tri(propan-2-yl)silylcyclopent-2-en-1-one
PubChem CID15828916
Molecular FormulaC16H30OSi
Molecular Weight266.50 g/mol
Exact Mass266.21
IUPAC Name3,4-dimethyl-2-tri(propan-2-yl)silylcyclopent-2-en-1-one
SMILESCC1=C([Si](C(C)C)(C(C)C)C(C)C)C(=O)CC1C
InChIInChI=1S/C16H30OSi/c1-10(2)18(11(3)4,12(5)6)16-14(8)13(7)9-15(16)17/h10-13H,9H2,1-8H3
InChIKeyIHXKPTIQZMMINY-UHFFFAOYSA-N
XLogP5.13
TPSA17.07 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds4
Heavy Atoms18
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500266.50
LogP ≤ 55.13
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-dimethyl-2-tri(propan-2-yl)silylcyclopent-2-en-1-one?
The IUPAC name of 3,4-dimethyl-2-tri(propan-2-yl)silylcyclopent-2-en-1-one (CID 15828916) is 3,4-dimethyl-2-tri(propan-2-yl)silylcyclopent-2-en-1-one.
What is the SMILES notation for 3,4-dimethyl-2-tri(propan-2-yl)silylcyclopent-2-en-1-one?
The canonical SMILES for 3,4-dimethyl-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)CC1C.
What is the InChIKey of 3,4-dimethyl-2-tri(propan-2-yl)silylcyclopent-2-en-1-one?
The InChIKey is IHXKPTIQZMMINY-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H30OSi/c1-10(2)18(11(3)4,12(5)6)16-14(8)13(7)9-15(16)17/h10-13H,9H2,1-8H3.
What are the key properties of 3,4-dimethyl-2-tri(propan-2-yl)silylcyclopent-2-en-1-one?
3,4-dimethyl-2-tri(propan-2-yl)silylcyclopent-2-en-1-one has a molecular weight of 266.50 g/mol, XLogP of 5.13, 4 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 3,4-dimethyl-2-tri(propan-2-yl)silylcyclopent-2-en-1-one is sourced from PubChem (CID 15828916), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).