(3-tert-butyl-2,4-dimethylcyclohexa-1,3-dien-1-yl)silane

C12H22Si — CID 173122246

IUPAC(3-tert-butyl-2,4-dimethylcyclohexa-1,3-dien-1-yl)silane
SMILESCC1=C(C(C)(C)C)C(C)=C([SiH3])CC1
InChIInChI=1S/C12H22Si/c1-8-6-7-10(13)9(2)11(8)12(3,4)5/h6-7H2,1-5,13H3
InChIKeyYSBQWSUQKZEPRV-UHFFFAOYSA-N
MW194.39 g/mol
LogP2.78
Rot. Bonds

About (3-tert-butyl-2,4-dimethylcyclohexa-1,3-dien-1-yl)silane

(3-tert-butyl-2,4-dimethylcyclohexa-1,3-dien-1-yl)silane (PubChem CID 173122246) has the molecular formula C12H22Si and a molecular weight of 194.39 g/mol. Its IUPAC name is (3-tert-butyl-2,4-dimethylcyclohexa-1,3-dien-1-yl)silane.

Molecular Properties

Compound Name(3-tert-butyl-2,4-dimethylcyclohexa-1,3-dien-1-yl)silane
PubChem CID173122246
Molecular FormulaC12H22Si
Molecular Weight194.39 g/mol
Exact Mass194.15
IUPAC Name(3-tert-butyl-2,4-dimethylcyclohexa-1,3-dien-1-yl)silane
SMILESCC1=C(C(C)(C)C)C(C)=C([SiH3])CC1
InChIInChI=1S/C12H22Si/c1-8-6-7-10(13)9(2)11(8)12(3,4)5/h6-7H2,1-5,13H3
InChIKeyYSBQWSUQKZEPRV-UHFFFAOYSA-N
XLogP2.78
TPSA0.00 Ų
H-Bond Donors
H-Bond Acceptors
Rotatable Bonds
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500194.39
LogP ≤ 52.78
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-2,4-dimethylcyclohexa-1,3-dien-1-yl)silane?
The IUPAC name of (3-tert-butyl-2,4-dimethylcyclohexa-1,3-dien-1-yl)silane (CID 173122246) is (3-tert-butyl-2,4-dimethylcyclohexa-1,3-dien-1-yl)silane.
What is the SMILES notation for (3-tert-butyl-2,4-dimethylcyclohexa-1,3-dien-1-yl)silane?
The canonical SMILES for (3-tert-butyl-2,4-dimethylcyclohexa-1,3-dien-1-yl)silane is CC1=C(C(C)(C)C)C(C)=C([SiH3])CC1.
What is the InChIKey of (3-tert-butyl-2,4-dimethylcyclohexa-1,3-dien-1-yl)silane?
The InChIKey is YSBQWSUQKZEPRV-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H22Si/c1-8-6-7-10(13)9(2)11(8)12(3,4)5/h6-7H2,1-5,13H3.
What are the key properties of (3-tert-butyl-2,4-dimethylcyclohexa-1,3-dien-1-yl)silane?
(3-tert-butyl-2,4-dimethylcyclohexa-1,3-dien-1-yl)silane has a molecular weight of 194.39 g/mol, XLogP of 2.78, 0 rotatable bonds, 0 hydrogen bond donors, and 0 hydrogen bond acceptors.
Where does this data come from?
All data for (3-tert-butyl-2,4-dimethylcyclohexa-1,3-dien-1-yl)silane is sourced from PubChem (CID 173122246), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).