(4E)-5-cyclopropyl-4-(cyclopropylmethylidene)-2-trimethylsilylcyclopent-2-en-1-one

C15H22OSi — CID 102574922

IUPAC(4E)-5-cyclopropyl-4-(cyclopropylmethylidene)-2-trimethylsilylcyclopent-2-en-1-one
SMILESC[Si](C)(C)C1=C/C(=C/C2CC2)C(C2CC2)C1=O
InChIInChI=1S/C15H22OSi/c1-17(2,3)13-9-12(8-10-4-5-10)14(15(13)16)11-6-7-11/h8-11,14H,4-7H2,1-3H3/b12-8-
InChIKeyVCHJVXUEGCZHBS-WQLSENKSSA-N
MW246.43 g/mol
LogP3.74
Rot. Bonds3

About (4E)-5-cyclopropyl-4-(cyclopropylmethylidene)-2-trimethylsilylcyclopent-2-en-1-one

(4E)-5-cyclopropyl-4-(cyclopropylmethylidene)-2-trimethylsilylcyclopent-2-en-1-one (PubChem CID 102574922) has the molecular formula C15H22OSi and a molecular weight of 246.43 g/mol. Its IUPAC name is (4E)-5-cyclopropyl-4-(cyclopropylmethylidene)-2-trimethylsilylcyclopent-2-en-1-one.

Molecular Properties

Compound Name(4E)-5-cyclopropyl-4-(cyclopropylmethylidene)-2-trimethylsilylcyclopent-2-en-1-one
PubChem CID102574922
Molecular FormulaC15H22OSi
Molecular Weight246.43 g/mol
Exact Mass246.14
IUPAC Name(4E)-5-cyclopropyl-4-(cyclopropylmethylidene)-2-trimethylsilylcyclopent-2-en-1-one
SMILESC[Si](C)(C)C1=C/C(=C/C2CC2)C(C2CC2)C1=O
InChIInChI=1S/C15H22OSi/c1-17(2,3)13-9-12(8-10-4-5-10)14(15(13)16)11-6-7-11/h8-11,14H,4-7H2,1-3H3/b12-8-
InChIKeyVCHJVXUEGCZHBS-WQLSENKSSA-N
XLogP3.74
TPSA17.07 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds3
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500246.43
LogP ≤ 53.74
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 (4E)-5-cyclopropyl-4-(cyclopropylmethylidene)-2-trimethylsilylcyclopent-2-en-1-one?
The IUPAC name of (4E)-5-cyclopropyl-4-(cyclopropylmethylidene)-2-trimethylsilylcyclopent-2-en-1-one (CID 102574922) is (4E)-5-cyclopropyl-4-(cyclopropylmethylidene)-2-trimethylsilylcyclopent-2-en-1-one.
What is the SMILES notation for (4E)-5-cyclopropyl-4-(cyclopropylmethylidene)-2-trimethylsilylcyclopent-2-en-1-one?
The canonical SMILES for (4E)-5-cyclopropyl-4-(cyclopropylmethylidene)-2-trimethylsilylcyclopent-2-en-1-one is C[Si](C)(C)C1=C/C(=C/C2CC2)C(C2CC2)C1=O.
What is the InChIKey of (4E)-5-cyclopropyl-4-(cyclopropylmethylidene)-2-trimethylsilylcyclopent-2-en-1-one?
The InChIKey is VCHJVXUEGCZHBS-WQLSENKSSA-N. The full InChI is InChI=1S/C15H22OSi/c1-17(2,3)13-9-12(8-10-4-5-10)14(15(13)16)11-6-7-11/h8-11,14H,4-7H2,1-3H3/b12-8-.
What are the key properties of (4E)-5-cyclopropyl-4-(cyclopropylmethylidene)-2-trimethylsilylcyclopent-2-en-1-one?
(4E)-5-cyclopropyl-4-(cyclopropylmethylidene)-2-trimethylsilylcyclopent-2-en-1-one has a molecular weight of 246.43 g/mol, XLogP of 3.74, 3 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for (4E)-5-cyclopropyl-4-(cyclopropylmethylidene)-2-trimethylsilylcyclopent-2-en-1-one is sourced from PubChem (CID 102574922), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).