bis(4-tert-butyl-2-methylcyclopenta-2,4-dien-1-yl)-dichlorosilane

C20H30Cl2Si — CID 139699590

IUPACbis(4-tert-butyl-2-methylcyclopenta-2,4-dien-1-yl)-dichlorosilane
SMILESCC1=CC(C(C)(C)C)=CC1[Si](Cl)(Cl)C1C=C(C(C)(C)C)C=C1C
InChIInChI=1S/C20H30Cl2Si/c1-13-9-15(19(3,4)5)11-17(13)23(21,22)18-12-16(10-14(18)2)20(6,7)8/h9-12,17-18H,1-8H3
InChIKeyQJWQCRROSBBVKQ-UHFFFAOYSA-N
MW369.45 g/mol
LogP7.51
Rot. Bonds2

About bis(4-tert-butyl-2-methylcyclopenta-2,4-dien-1-yl)-dichlorosilane

bis(4-tert-butyl-2-methylcyclopenta-2,4-dien-1-yl)-dichlorosilane (PubChem CID 139699590) has the molecular formula C20H30Cl2Si and a molecular weight of 369.45 g/mol. Its IUPAC name is bis(4-tert-butyl-2-methylcyclopenta-2,4-dien-1-yl)-dichlorosilane.

Molecular Properties

Compound Namebis(4-tert-butyl-2-methylcyclopenta-2,4-dien-1-yl)-dichlorosilane
PubChem CID139699590
Molecular FormulaC20H30Cl2Si
Molecular Weight369.45 g/mol
Exact Mass368.15
IUPAC Namebis(4-tert-butyl-2-methylcyclopenta-2,4-dien-1-yl)-dichlorosilane
SMILESCC1=CC(C(C)(C)C)=CC1[Si](Cl)(Cl)C1C=C(C(C)(C)C)C=C1C
InChIInChI=1S/C20H30Cl2Si/c1-13-9-15(19(3,4)5)11-17(13)23(21,22)18-12-16(10-14(18)2)20(6,7)8/h9-12,17-18H,1-8H3
InChIKeyQJWQCRROSBBVKQ-UHFFFAOYSA-N
XLogP7.51
TPSA0.00 Ų
H-Bond Donors
H-Bond Acceptors
Rotatable Bonds2
Heavy Atoms23
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500369.45
LogP ≤ 57.51
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 100

Computed Properties (RDKit)

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

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Related Compounds

(6S)-3-tert-butyl-5-(3-tert-butyl-5,6-dimethylcyclohexa-2,4-dien-1-yl)-1,6-dimethylcyclohexa-1,3-diene
CID 91444063
3-(4-tert-butyl-2,6-dimethylcyclohexa-2,4-dien-1-yl)pyridine
CID 167114095
dichloro-bis(2-methylcyclopenta-2,4-dien-1-yl)silane
CID 139699557
[4-[2-(2-methoxy-3,5-dimethylphenyl)propan-2-yl]-2-methylcyclopenta-2,4-dien-1-yl]-trimethylsilane
CID 68742340
1,3,5-tritert-butyl-7-(2,4,6-tritert-butylcyclohepta-2,4,6-trien-1-yl)cyclohepta-1,3,5-triene
CID 15250287
1,5-ditert-butyl-3-methylcyclohexa-3,5-diene-1,2-diamine
CID 67805187
6-tert-butyl-4aH-cyclopenta[c]pyridine
CID 121402448
dichloro-bis(3,4-dimethylcyclopenta-2,4-dien-1-yl)silane
CID 139699551
4-tert-butyl-2-(difluoromethyl)-2H-pyrrole
CID 169294432
1-[2-(4-tert-butyl-2-methylcyclopenta-2,4-dien-1-yl)propan-2-yl]-9H-fluorene
CID 131725120
1,3-ditert-butyl-5-[(3,5-ditert-butylcyclohexa-1,3-dien-1-yl)methyl]benzene
CID 173287320
(5E)-2-tert-butyl-5-(3-tert-butylcyclopenta-2,4-dien-1-ylidene)cyclopenta-1,3-diene
CID 13040099

Frequently Asked Questions

What is the IUPAC name of bis(4-tert-butyl-2-methylcyclopenta-2,4-dien-1-yl)-dichlorosilane?
The IUPAC name of bis(4-tert-butyl-2-methylcyclopenta-2,4-dien-1-yl)-dichlorosilane (CID 139699590) is bis(4-tert-butyl-2-methylcyclopenta-2,4-dien-1-yl)-dichlorosilane.
What is the SMILES notation for bis(4-tert-butyl-2-methylcyclopenta-2,4-dien-1-yl)-dichlorosilane?
The canonical SMILES for bis(4-tert-butyl-2-methylcyclopenta-2,4-dien-1-yl)-dichlorosilane is CC1=CC(C(C)(C)C)=CC1[Si](Cl)(Cl)C1C=C(C(C)(C)C)C=C1C.
What is the InChIKey of bis(4-tert-butyl-2-methylcyclopenta-2,4-dien-1-yl)-dichlorosilane?
The InChIKey is QJWQCRROSBBVKQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H30Cl2Si/c1-13-9-15(19(3,4)5)11-17(13)23(21,22)18-12-16(10-14(18)2)20(6,7)8/h9-12,17-18H,1-8H3.
What are the key properties of bis(4-tert-butyl-2-methylcyclopenta-2,4-dien-1-yl)-dichlorosilane?
bis(4-tert-butyl-2-methylcyclopenta-2,4-dien-1-yl)-dichlorosilane has a molecular weight of 369.45 g/mol, XLogP of 7.51, 2 rotatable bonds, 0 hydrogen bond donors, and 0 hydrogen bond acceptors.
Where does this data come from?
All data for bis(4-tert-butyl-2-methylcyclopenta-2,4-dien-1-yl)-dichlorosilane is sourced from PubChem (CID 139699590), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).