but-3-enyl-dimethyl-(1,2,3,4,5-pentamethylcyclopenta-2,4-dien-1-yl)silane

C16H28Si — CID 101184635

IUPACbut-3-enyl-dimethyl-(1,2,3,4,5-pentamethylcyclopenta-2,4-dien-1-yl)silane
SMILESC=CCC[Si](C)(C)C1(C)C(C)=C(C)C(C)=C1C
InChIInChI=1S/C16H28Si/c1-9-10-11-17(7,8)16(6)14(4)12(2)13(3)15(16)5/h9H,1,10-11H2,2-8H3
InChIKeyPAFUJGJZBNETOJ-UHFFFAOYSA-N
MW248.49 g/mol
LogP5.72
Rot. Bonds4

About but-3-enyl-dimethyl-(1,2,3,4,5-pentamethylcyclopenta-2,4-dien-1-yl)silane

but-3-enyl-dimethyl-(1,2,3,4,5-pentamethylcyclopenta-2,4-dien-1-yl)silane (PubChem CID 101184635) has the molecular formula C16H28Si and a molecular weight of 248.49 g/mol. Its IUPAC name is but-3-enyl-dimethyl-(1,2,3,4,5-pentamethylcyclopenta-2,4-dien-1-yl)silane.

Molecular Properties

Compound Namebut-3-enyl-dimethyl-(1,2,3,4,5-pentamethylcyclopenta-2,4-dien-1-yl)silane
PubChem CID101184635
Molecular FormulaC16H28Si
Molecular Weight248.49 g/mol
Exact Mass248.20
IUPAC Namebut-3-enyl-dimethyl-(1,2,3,4,5-pentamethylcyclopenta-2,4-dien-1-yl)silane
SMILESC=CCC[Si](C)(C)C1(C)C(C)=C(C)C(C)=C1C
InChIInChI=1S/C16H28Si/c1-9-10-11-17(7,8)16(6)14(4)12(2)13(3)15(16)5/h9H,1,10-11H2,2-8H3
InChIKeyPAFUJGJZBNETOJ-UHFFFAOYSA-N
XLogP5.72
TPSA0.00 Ų
H-Bond Donors
H-Bond Acceptors
Rotatable Bonds4
Heavy Atoms17
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500248.49
LogP ≤ 55.72
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 100

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of but-3-enyl-dimethyl-(1,2,3,4,5-pentamethylcyclopenta-2,4-dien-1-yl)silane?
The IUPAC name of but-3-enyl-dimethyl-(1,2,3,4,5-pentamethylcyclopenta-2,4-dien-1-yl)silane (CID 101184635) is but-3-enyl-dimethyl-(1,2,3,4,5-pentamethylcyclopenta-2,4-dien-1-yl)silane.
What is the SMILES notation for but-3-enyl-dimethyl-(1,2,3,4,5-pentamethylcyclopenta-2,4-dien-1-yl)silane?
The canonical SMILES for but-3-enyl-dimethyl-(1,2,3,4,5-pentamethylcyclopenta-2,4-dien-1-yl)silane is C=CCC[Si](C)(C)C1(C)C(C)=C(C)C(C)=C1C.
What is the InChIKey of but-3-enyl-dimethyl-(1,2,3,4,5-pentamethylcyclopenta-2,4-dien-1-yl)silane?
The InChIKey is PAFUJGJZBNETOJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H28Si/c1-9-10-11-17(7,8)16(6)14(4)12(2)13(3)15(16)5/h9H,1,10-11H2,2-8H3.
What are the key properties of but-3-enyl-dimethyl-(1,2,3,4,5-pentamethylcyclopenta-2,4-dien-1-yl)silane?
but-3-enyl-dimethyl-(1,2,3,4,5-pentamethylcyclopenta-2,4-dien-1-yl)silane has a molecular weight of 248.49 g/mol, XLogP of 5.72, 4 rotatable bonds, 0 hydrogen bond donors, and 0 hydrogen bond acceptors.
Where does this data come from?
All data for but-3-enyl-dimethyl-(1,2,3,4,5-pentamethylcyclopenta-2,4-dien-1-yl)silane is sourced from PubChem (CID 101184635), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).