(2-tert-butyl-5-pentan-3-ylidenecyclopenta-1,3-dien-1-yl)-dimethylsilane

C16H28Si — CID 173157711

IUPAC(2-tert-butyl-5-pentan-3-ylidenecyclopenta-1,3-dien-1-yl)-dimethylsilane
SMILESCCC(CC)=C1C=CC(C(C)(C)C)=C1[SiH](C)C
InChIInChI=1S/C16H28Si/c1-8-12(9-2)13-10-11-14(16(3,4)5)15(13)17(6)7/h10-11,17H,8-9H2,1-7H3
InChIKeyITYXBKDYZUSTJZ-UHFFFAOYSA-N
MW248.49 g/mol
LogP5.04
Rot. Bonds3

About (2-tert-butyl-5-pentan-3-ylidenecyclopenta-1,3-dien-1-yl)-dimethylsilane

(2-tert-butyl-5-pentan-3-ylidenecyclopenta-1,3-dien-1-yl)-dimethylsilane (PubChem CID 173157711) has the molecular formula C16H28Si and a molecular weight of 248.49 g/mol. Its IUPAC name is (2-tert-butyl-5-pentan-3-ylidenecyclopenta-1,3-dien-1-yl)-dimethylsilane.

Molecular Properties

Compound Name(2-tert-butyl-5-pentan-3-ylidenecyclopenta-1,3-dien-1-yl)-dimethylsilane
PubChem CID173157711
Molecular FormulaC16H28Si
Molecular Weight248.49 g/mol
Exact Mass248.20
IUPAC Name(2-tert-butyl-5-pentan-3-ylidenecyclopenta-1,3-dien-1-yl)-dimethylsilane
SMILESCCC(CC)=C1C=CC(C(C)(C)C)=C1[SiH](C)C
InChIInChI=1S/C16H28Si/c1-8-12(9-2)13-10-11-14(16(3,4)5)15(13)17(6)7/h10-11,17H,8-9H2,1-7H3
InChIKeyITYXBKDYZUSTJZ-UHFFFAOYSA-N
XLogP5.04
TPSA0.00 Ų
H-Bond Donors
H-Bond Acceptors
Rotatable Bonds3
Heavy Atoms17
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500248.49
LogP ≤ 55.04
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 100

Computed Properties (RDKit)

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

Analyze (2-tert-butyl-5-pentan-3-ylidenecyclopenta-1,3-dien-1-yl)-dimethylsilane with MolForge

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

Launch Full Analysis

Frequently Asked Questions

What is the IUPAC name of (2-tert-butyl-5-pentan-3-ylidenecyclopenta-1,3-dien-1-yl)-dimethylsilane?
The IUPAC name of (2-tert-butyl-5-pentan-3-ylidenecyclopenta-1,3-dien-1-yl)-dimethylsilane (CID 173157711) is (2-tert-butyl-5-pentan-3-ylidenecyclopenta-1,3-dien-1-yl)-dimethylsilane.
What is the SMILES notation for (2-tert-butyl-5-pentan-3-ylidenecyclopenta-1,3-dien-1-yl)-dimethylsilane?
The canonical SMILES for (2-tert-butyl-5-pentan-3-ylidenecyclopenta-1,3-dien-1-yl)-dimethylsilane is CCC(CC)=C1C=CC(C(C)(C)C)=C1[SiH](C)C.
What is the InChIKey of (2-tert-butyl-5-pentan-3-ylidenecyclopenta-1,3-dien-1-yl)-dimethylsilane?
The InChIKey is ITYXBKDYZUSTJZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H28Si/c1-8-12(9-2)13-10-11-14(16(3,4)5)15(13)17(6)7/h10-11,17H,8-9H2,1-7H3.
What are the key properties of (2-tert-butyl-5-pentan-3-ylidenecyclopenta-1,3-dien-1-yl)-dimethylsilane?
(2-tert-butyl-5-pentan-3-ylidenecyclopenta-1,3-dien-1-yl)-dimethylsilane has a molecular weight of 248.49 g/mol, XLogP of 5.04, 3 rotatable bonds, 0 hydrogen bond donors, and 0 hydrogen bond acceptors.
Where does this data come from?
All data for (2-tert-butyl-5-pentan-3-ylidenecyclopenta-1,3-dien-1-yl)-dimethylsilane is sourced from PubChem (CID 173157711), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).