bis(3-butyl-5-tert-butylcyclopenta-1,4-dien-1-yl)-dimethylsilane

C28H48Si — CID 18778904

IUPACbis(3-butyl-5-tert-butylcyclopenta-1,4-dien-1-yl)-dimethylsilane
SMILESCCCCC1C=C(C(C)(C)C)C([Si](C)(C)C2=CC(CCCC)C=C2C(C)(C)C)=C1
InChIInChI=1S/C28H48Si/c1-11-13-15-21-17-23(27(3,4)5)25(19-21)29(9,10)26-20-22(16-14-12-2)18-24(26)28(6,7)8/h17-22H,11-16H2,1-10H3
InChIKeyNASVLVJAFBXVDF-UHFFFAOYSA-N
MW412.78 g/mol
LogP9.21
Rot. Bonds8

About bis(3-butyl-5-tert-butylcyclopenta-1,4-dien-1-yl)-dimethylsilane

bis(3-butyl-5-tert-butylcyclopenta-1,4-dien-1-yl)-dimethylsilane (PubChem CID 18778904) has the molecular formula C28H48Si and a molecular weight of 412.78 g/mol. Its IUPAC name is bis(3-butyl-5-tert-butylcyclopenta-1,4-dien-1-yl)-dimethylsilane.

Molecular Properties

Compound Namebis(3-butyl-5-tert-butylcyclopenta-1,4-dien-1-yl)-dimethylsilane
PubChem CID18778904
Molecular FormulaC28H48Si
Molecular Weight412.78 g/mol
Exact Mass412.35
IUPAC Namebis(3-butyl-5-tert-butylcyclopenta-1,4-dien-1-yl)-dimethylsilane
SMILESCCCCC1C=C(C(C)(C)C)C([Si](C)(C)C2=CC(CCCC)C=C2C(C)(C)C)=C1
InChIInChI=1S/C28H48Si/c1-11-13-15-21-17-23(27(3,4)5)25(19-21)29(9,10)26-20-22(16-14-12-2)18-24(26)28(6,7)8/h17-22H,11-16H2,1-10H3
InChIKeyNASVLVJAFBXVDF-UHFFFAOYSA-N
XLogP9.21
TPSA0.00 Ų
H-Bond Donors
H-Bond Acceptors
Rotatable Bonds8
Heavy Atoms29
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500412.78
LogP ≤ 59.21
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 100

Computed Properties (RDKit)

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

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Related Compounds

3,6-dibutylcyclohexa-1,4-diene
CID 90992302
[(3R,6S)-3-butyl-6-tert-butylcyclohexen-1-yl]oxy-trimethylsilane
CID 134922490
(1R,6R)-6-butylcycloocta-2,4,7-trien-1-ol
CID 71416520
5-butyl-1,4-ditert-butylcyclohexa-1,3-diene
CID 25208646
5-butyl-2-tert-butylcyclopenta-1,3-diene;propan-2-ylidenezirconium(2+);2,3,6,7-tetramethyl-9H-fluoren-9-ide;dichloride
CID 87215050
pentane;tetramethylsilane
CID 173025791
2-tert-butyl-3,5-dimethylcyclopenta-1,3-diene
CID 18463881
5-undecylcyclopenta-1,3-diene
CID 141280590
3-butyloxiran-2-one
CID 18762090
tert-butylbenzene;hexane
CID 175254424
(3-butylcyclohexen-1-yl)oxy-trimethylsilane
CID 597983
3-butylbicyclo[2.1.1]hex-1(5)-ene
CID 163677365

Frequently Asked Questions

What is the IUPAC name of bis(3-butyl-5-tert-butylcyclopenta-1,4-dien-1-yl)-dimethylsilane?
The IUPAC name of bis(3-butyl-5-tert-butylcyclopenta-1,4-dien-1-yl)-dimethylsilane (CID 18778904) is bis(3-butyl-5-tert-butylcyclopenta-1,4-dien-1-yl)-dimethylsilane.
What is the SMILES notation for bis(3-butyl-5-tert-butylcyclopenta-1,4-dien-1-yl)-dimethylsilane?
The canonical SMILES for bis(3-butyl-5-tert-butylcyclopenta-1,4-dien-1-yl)-dimethylsilane is CCCCC1C=C(C(C)(C)C)C([Si](C)(C)C2=CC(CCCC)C=C2C(C)(C)C)=C1.
What is the InChIKey of bis(3-butyl-5-tert-butylcyclopenta-1,4-dien-1-yl)-dimethylsilane?
The InChIKey is NASVLVJAFBXVDF-UHFFFAOYSA-N. The full InChI is InChI=1S/C28H48Si/c1-11-13-15-21-17-23(27(3,4)5)25(19-21)29(9,10)26-20-22(16-14-12-2)18-24(26)28(6,7)8/h17-22H,11-16H2,1-10H3.
What are the key properties of bis(3-butyl-5-tert-butylcyclopenta-1,4-dien-1-yl)-dimethylsilane?
bis(3-butyl-5-tert-butylcyclopenta-1,4-dien-1-yl)-dimethylsilane has a molecular weight of 412.78 g/mol, XLogP of 9.21, 8 rotatable bonds, 0 hydrogen bond donors, and 0 hydrogen bond acceptors.
Where does this data come from?
All data for bis(3-butyl-5-tert-butylcyclopenta-1,4-dien-1-yl)-dimethylsilane is sourced from PubChem (CID 18778904), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).