(3-tert-butyl-4,5-dimethylcyclopenta-1,4-dien-1-yl)silane

C11H20Si — CID 123595211

IUPAC(3-tert-butyl-4,5-dimethylcyclopenta-1,4-dien-1-yl)silane
SMILESCC1=C(C)C(C(C)(C)C)C=C1[SiH3]
InChIInChI=1S/C11H20Si/c1-7-8(2)10(12)6-9(7)11(3,4)5/h6,9H,1-5,12H3
InChIKeyAAKJLWBEDMGTQO-UHFFFAOYSA-N
MW180.37 g/mol
LogP2.25
Rot. Bonds

About (3-tert-butyl-4,5-dimethylcyclopenta-1,4-dien-1-yl)silane

(3-tert-butyl-4,5-dimethylcyclopenta-1,4-dien-1-yl)silane (PubChem CID 123595211) has the molecular formula C11H20Si and a molecular weight of 180.37 g/mol. Its IUPAC name is (3-tert-butyl-4,5-dimethylcyclopenta-1,4-dien-1-yl)silane.

Molecular Properties

Compound Name(3-tert-butyl-4,5-dimethylcyclopenta-1,4-dien-1-yl)silane
PubChem CID123595211
Molecular FormulaC11H20Si
Molecular Weight180.37 g/mol
Exact Mass180.13
IUPAC Name(3-tert-butyl-4,5-dimethylcyclopenta-1,4-dien-1-yl)silane
SMILESCC1=C(C)C(C(C)(C)C)C=C1[SiH3]
InChIInChI=1S/C11H20Si/c1-7-8(2)10(12)6-9(7)11(3,4)5/h6,9H,1-5,12H3
InChIKeyAAKJLWBEDMGTQO-UHFFFAOYSA-N
XLogP2.25
TPSA0.00 Ų
H-Bond Donors
H-Bond Acceptors
Rotatable Bonds
Heavy Atoms12
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500180.37
LogP ≤ 52.25
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 100

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-tert-butyl-4,5-dimethylcyclopenta-1,4-dien-1-yl)silane?
The IUPAC name of (3-tert-butyl-4,5-dimethylcyclopenta-1,4-dien-1-yl)silane (CID 123595211) is (3-tert-butyl-4,5-dimethylcyclopenta-1,4-dien-1-yl)silane.
What is the SMILES notation for (3-tert-butyl-4,5-dimethylcyclopenta-1,4-dien-1-yl)silane?
The canonical SMILES for (3-tert-butyl-4,5-dimethylcyclopenta-1,4-dien-1-yl)silane is CC1=C(C)C(C(C)(C)C)C=C1[SiH3].
What is the InChIKey of (3-tert-butyl-4,5-dimethylcyclopenta-1,4-dien-1-yl)silane?
The InChIKey is AAKJLWBEDMGTQO-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H20Si/c1-7-8(2)10(12)6-9(7)11(3,4)5/h6,9H,1-5,12H3.
What are the key properties of (3-tert-butyl-4,5-dimethylcyclopenta-1,4-dien-1-yl)silane?
(3-tert-butyl-4,5-dimethylcyclopenta-1,4-dien-1-yl)silane has a molecular weight of 180.37 g/mol, XLogP of 2.25, 0 rotatable bonds, 0 hydrogen bond donors, and 0 hydrogen bond acceptors.
Where does this data come from?
All data for (3-tert-butyl-4,5-dimethylcyclopenta-1,4-dien-1-yl)silane is sourced from PubChem (CID 123595211), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).