di(butan-2-yl)-bis(4-methyl-2-propan-2-ylcyclopenta-2,4-dien-1-yl)silane

C26H44Si — CID 139672575

IUPACdi(butan-2-yl)-bis(4-methyl-2-propan-2-ylcyclopenta-2,4-dien-1-yl)silane
SMILESCCC(C)[Si](C(C)CC)(C1C=C(C)C=C1C(C)C)C1C=C(C)C=C1C(C)C
InChIInChI=1S/C26H44Si/c1-11-21(9)27(22(10)12-2,25-15-19(7)13-23(25)17(3)4)26-16-20(8)14-24(26)18(5)6/h13-18,21-22,25-26H,11-12H2,1-10H3
InChIKeyFQNNNAJDZPTPDC-UHFFFAOYSA-N
MW384.72 g/mol
LogP8.86
Rot. Bonds8

About di(butan-2-yl)-bis(4-methyl-2-propan-2-ylcyclopenta-2,4-dien-1-yl)silane

di(butan-2-yl)-bis(4-methyl-2-propan-2-ylcyclopenta-2,4-dien-1-yl)silane (PubChem CID 139672575) has the molecular formula C26H44Si and a molecular weight of 384.72 g/mol. Its IUPAC name is di(butan-2-yl)-bis(4-methyl-2-propan-2-ylcyclopenta-2,4-dien-1-yl)silane.

Molecular Properties

Compound Namedi(butan-2-yl)-bis(4-methyl-2-propan-2-ylcyclopenta-2,4-dien-1-yl)silane
PubChem CID139672575
Molecular FormulaC26H44Si
Molecular Weight384.72 g/mol
Exact Mass384.32
IUPAC Namedi(butan-2-yl)-bis(4-methyl-2-propan-2-ylcyclopenta-2,4-dien-1-yl)silane
SMILESCCC(C)[Si](C(C)CC)(C1C=C(C)C=C1C(C)C)C1C=C(C)C=C1C(C)C
InChIInChI=1S/C26H44Si/c1-11-21(9)27(22(10)12-2,25-15-19(7)13-23(25)17(3)4)26-16-20(8)14-24(26)18(5)6/h13-18,21-22,25-26H,11-12H2,1-10H3
InChIKeyFQNNNAJDZPTPDC-UHFFFAOYSA-N
XLogP8.86
TPSA0.00 Ų
H-Bond Donors
H-Bond Acceptors
Rotatable Bonds8
Heavy Atoms27
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500384.72
LogP ≤ 58.86
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

Dimethyl-bis(2,3,4,5-tetramethylcyclopenta-1,3-dien-1-yl)silane
CID 15861639
3,8-Bis(4-methylpent-3-enyl)-5-silaspiro[4.4]nona-2,7-diene
CID 15049571
(5-Butylcyclopenta-1,3-dien-1-yl)-trimethylsilane
CID 15878340
triethyl-[(6E)-10-methylundeca-1,6-dien-3-yl]silane
CID 101127398
bis[(1R)-2,4-ditert-butylcyclopenta-2,4-dien-1-yl]-dimethylsilane
CID 139174999
Silane, ((4,6-dimethyl-1,3-phenylene)bis(methylene))bis(trimethyl-
CID 143907
2-Methylbis(3-trimethylsilylpropyl)silylnorbornadiene
CID 553322
Bicyclo[3.3.0]octa-1,4-diene, 3-isobutenyl-2,3-bis(trimethylsilyl)-
CID 553792
2-Tris(3-trimethylsilylpropyl)norbornadiene
CID 597990
Diethyl-[4-ethyl-1,1-dimethyl-2,5-bis(3-methylbutyl)silol-3-yl]borane
CID 15151073
Silane, bis[3-(1,1-dimethylethyl)-2,4-cyclopentadien-1-yl]dimethyl-
CID 11001089
(3-Tert-butylcyclopenta-2,4-dien-1-yl)-dimethyl-(2,3,4,5-tetramethylcyclopenta-2,4-dien-1-yl)silane
CID 12053436

Frequently Asked Questions

What is the IUPAC name of di(butan-2-yl)-bis(4-methyl-2-propan-2-ylcyclopenta-2,4-dien-1-yl)silane?
The IUPAC name of di(butan-2-yl)-bis(4-methyl-2-propan-2-ylcyclopenta-2,4-dien-1-yl)silane (CID 139672575) is di(butan-2-yl)-bis(4-methyl-2-propan-2-ylcyclopenta-2,4-dien-1-yl)silane.
What is the SMILES notation for di(butan-2-yl)-bis(4-methyl-2-propan-2-ylcyclopenta-2,4-dien-1-yl)silane?
The canonical SMILES for di(butan-2-yl)-bis(4-methyl-2-propan-2-ylcyclopenta-2,4-dien-1-yl)silane is CCC(C)[Si](C(C)CC)(C1C=C(C)C=C1C(C)C)C1C=C(C)C=C1C(C)C.
What is the InChIKey of di(butan-2-yl)-bis(4-methyl-2-propan-2-ylcyclopenta-2,4-dien-1-yl)silane?
The InChIKey is FQNNNAJDZPTPDC-UHFFFAOYSA-N. The full InChI is InChI=1S/C26H44Si/c1-11-21(9)27(22(10)12-2,25-15-19(7)13-23(25)17(3)4)26-16-20(8)14-24(26)18(5)6/h13-18,21-22,25-26H,11-12H2,1-10H3.
What are the key properties of di(butan-2-yl)-bis(4-methyl-2-propan-2-ylcyclopenta-2,4-dien-1-yl)silane?
di(butan-2-yl)-bis(4-methyl-2-propan-2-ylcyclopenta-2,4-dien-1-yl)silane has a molecular weight of 384.72 g/mol, XLogP of 8.86, 8 rotatable bonds, 0 hydrogen bond donors, and 0 hydrogen bond acceptors.
Where does this data come from?
All data for di(butan-2-yl)-bis(4-methyl-2-propan-2-ylcyclopenta-2,4-dien-1-yl)silane is sourced from PubChem (CID 139672575), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).