(3-tert-butylcyclopenta-2,4-dien-1-yl)-dimethyl-(2,3,4,5-tetramethylcyclopenta-2,4-dien-1-yl)silane

C20H32Si — CID 12053436

IUPAC(3-tert-butylcyclopenta-2,4-dien-1-yl)-dimethyl-(2,3,4,5-tetramethylcyclopenta-2,4-dien-1-yl)silane
SMILESCC1=C(C)C([Si](C)(C)C2C=CC(C(C)(C)C)=C2)C(C)=C1C
InChIInChI=1S/C20H32Si/c1-13-14(2)16(4)19(15(13)3)21(8,9)18-11-10-17(12-18)20(5,6)7/h10-12,18-19H,1-9H3
InChIKeyCSKGUEVFSWBRGD-UHFFFAOYSA-N
MW300.56 g/mol
LogP6.66
Rot. Bonds2

About (3-tert-butylcyclopenta-2,4-dien-1-yl)-dimethyl-(2,3,4,5-tetramethylcyclopenta-2,4-dien-1-yl)silane

(3-tert-butylcyclopenta-2,4-dien-1-yl)-dimethyl-(2,3,4,5-tetramethylcyclopenta-2,4-dien-1-yl)silane (PubChem CID 12053436) has the molecular formula C20H32Si and a molecular weight of 300.56 g/mol. Its IUPAC name is (3-tert-butylcyclopenta-2,4-dien-1-yl)-dimethyl-(2,3,4,5-tetramethylcyclopenta-2,4-dien-1-yl)silane.

Molecular Properties

Compound Name(3-tert-butylcyclopenta-2,4-dien-1-yl)-dimethyl-(2,3,4,5-tetramethylcyclopenta-2,4-dien-1-yl)silane
PubChem CID12053436
Molecular FormulaC20H32Si
Molecular Weight300.56 g/mol
Exact Mass300.23
IUPAC Name(3-tert-butylcyclopenta-2,4-dien-1-yl)-dimethyl-(2,3,4,5-tetramethylcyclopenta-2,4-dien-1-yl)silane
SMILESCC1=C(C)C([Si](C)(C)C2C=CC(C(C)(C)C)=C2)C(C)=C1C
InChIInChI=1S/C20H32Si/c1-13-14(2)16(4)19(15(13)3)21(8,9)18-11-10-17(12-18)20(5,6)7/h10-12,18-19H,1-9H3
InChIKeyCSKGUEVFSWBRGD-UHFFFAOYSA-N
XLogP6.66
TPSA0.00 Ų
H-Bond Donors
H-Bond Acceptors
Rotatable Bonds2
Heavy Atoms21
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500300.56
LogP ≤ 56.66
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

(2-Ethylcyclopenta-2,4-dien-1-yl)(trimethyl)silane
CID 4441236
3,8-Bis(4-methylpent-3-enyl)-5-silaspiro[4.4]nona-2,7-diene
CID 15049571
(3-tert-Butylcyclopenta-2,4-dien-1-yl)(chloro)dimethylsilane
CID 71353501
1-Triethylsilyl-4,5,5-trimethyl-1,3-hexadiene
CID 129763368
(Trimethylsilyl)isopropenylcyclopentadiene
CID 129813269
1,3-Di-tert-butyl-6-(trimethylsilylethynyl)fulvene
CID 139067482
bis[(1R)-2,4-ditert-butylcyclopenta-2,4-dien-1-yl]-dimethylsilane
CID 139174999
1,3-Cyclopentadiene, 1,5,5-trimethyl-2-(trimethylsilyl)-
CID 552276
1,3-Cyclopentadiene, 5,5-dimethyl-1-(trimethylsilylmethyl)-
CID 552783
Dimethyl-prop-2-enyl-(2,3,4,5-tetramethylcyclopenta-2,4-dien-1-yl)silane
CID 11172063
Silane, bis[3-(1,1-dimethylethyl)-2,4-cyclopentadien-1-yl]dimethyl-
CID 11001089
Cyclopenta-2,4-dien-1-yl-dimethyl-(2,3,4,5-tetramethylcyclopenta-2,4-dien-1-yl)silane
CID 12053442

Frequently Asked Questions

What is the IUPAC name of (3-tert-butylcyclopenta-2,4-dien-1-yl)-dimethyl-(2,3,4,5-tetramethylcyclopenta-2,4-dien-1-yl)silane?
The IUPAC name of (3-tert-butylcyclopenta-2,4-dien-1-yl)-dimethyl-(2,3,4,5-tetramethylcyclopenta-2,4-dien-1-yl)silane (CID 12053436) is (3-tert-butylcyclopenta-2,4-dien-1-yl)-dimethyl-(2,3,4,5-tetramethylcyclopenta-2,4-dien-1-yl)silane.
What is the SMILES notation for (3-tert-butylcyclopenta-2,4-dien-1-yl)-dimethyl-(2,3,4,5-tetramethylcyclopenta-2,4-dien-1-yl)silane?
The canonical SMILES for (3-tert-butylcyclopenta-2,4-dien-1-yl)-dimethyl-(2,3,4,5-tetramethylcyclopenta-2,4-dien-1-yl)silane is CC1=C(C)C([Si](C)(C)C2C=CC(C(C)(C)C)=C2)C(C)=C1C.
What is the InChIKey of (3-tert-butylcyclopenta-2,4-dien-1-yl)-dimethyl-(2,3,4,5-tetramethylcyclopenta-2,4-dien-1-yl)silane?
The InChIKey is CSKGUEVFSWBRGD-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H32Si/c1-13-14(2)16(4)19(15(13)3)21(8,9)18-11-10-17(12-18)20(5,6)7/h10-12,18-19H,1-9H3.
What are the key properties of (3-tert-butylcyclopenta-2,4-dien-1-yl)-dimethyl-(2,3,4,5-tetramethylcyclopenta-2,4-dien-1-yl)silane?
(3-tert-butylcyclopenta-2,4-dien-1-yl)-dimethyl-(2,3,4,5-tetramethylcyclopenta-2,4-dien-1-yl)silane has a molecular weight of 300.56 g/mol, XLogP of 6.66, 2 rotatable bonds, 0 hydrogen bond donors, and 0 hydrogen bond acceptors.
Where does this data come from?
All data for (3-tert-butylcyclopenta-2,4-dien-1-yl)-dimethyl-(2,3,4,5-tetramethylcyclopenta-2,4-dien-1-yl)silane is sourced from PubChem (CID 12053436), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).