9-(3,3-dimethyl-2-trimethylsilylcyclopenta-1,4-dien-1-yl)non-1-ynyl-trimethylsilane

C22H40Si2 — CID 552286

IUPAC9-(3,3-dimethyl-2-trimethylsilylcyclopenta-1,4-dien-1-yl)non-1-ynyl-trimethylsilane
SMILESCC1(C)C=CC(CCCCCCCC#C[Si](C)(C)C)=C1[Si](C)(C)C
InChIInChI=1S/C22H40Si2/c1-22(2)18-17-20(21(22)24(6,7)8)16-14-12-10-9-11-13-15-19-23(3,4)5/h17-18H,9-14,16H2,1-8H3
InChIKeyDLIXZEMSZOQOCU-UHFFFAOYSA-N
MW360.73 g/mol
LogP7.37
Rot. Bonds8

About 9-(3,3-dimethyl-2-trimethylsilylcyclopenta-1,4-dien-1-yl)non-1-ynyl-trimethylsilane

9-(3,3-dimethyl-2-trimethylsilylcyclopenta-1,4-dien-1-yl)non-1-ynyl-trimethylsilane (PubChem CID 552286) has the molecular formula C22H40Si2 and a molecular weight of 360.73 g/mol. Its IUPAC name is 9-(3,3-dimethyl-2-trimethylsilylcyclopenta-1,4-dien-1-yl)non-1-ynyl-trimethylsilane.

Molecular Properties

Compound Name9-(3,3-dimethyl-2-trimethylsilylcyclopenta-1,4-dien-1-yl)non-1-ynyl-trimethylsilane
PubChem CID552286
Molecular FormulaC22H40Si2
Molecular Weight360.73 g/mol
Exact Mass360.27
IUPAC Name9-(3,3-dimethyl-2-trimethylsilylcyclopenta-1,4-dien-1-yl)non-1-ynyl-trimethylsilane
SMILESCC1(C)C=CC(CCCCCCCC#C[Si](C)(C)C)=C1[Si](C)(C)C
InChIInChI=1S/C22H40Si2/c1-22(2)18-17-20(21(22)24(6,7)8)16-14-12-10-9-11-13-15-19-23(3,4)5/h17-18H,9-14,16H2,1-8H3
InChIKeyDLIXZEMSZOQOCU-UHFFFAOYSA-N
XLogP7.37
TPSA0.00 Ų
H-Bond Donors
H-Bond Acceptors
Rotatable Bonds8
Heavy Atoms24
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500360.73
LogP ≤ 57.37
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 100

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of 9-(3,3-dimethyl-2-trimethylsilylcyclopenta-1,4-dien-1-yl)non-1-ynyl-trimethylsilane?
The IUPAC name of 9-(3,3-dimethyl-2-trimethylsilylcyclopenta-1,4-dien-1-yl)non-1-ynyl-trimethylsilane (CID 552286) is 9-(3,3-dimethyl-2-trimethylsilylcyclopenta-1,4-dien-1-yl)non-1-ynyl-trimethylsilane.
What is the SMILES notation for 9-(3,3-dimethyl-2-trimethylsilylcyclopenta-1,4-dien-1-yl)non-1-ynyl-trimethylsilane?
The canonical SMILES for 9-(3,3-dimethyl-2-trimethylsilylcyclopenta-1,4-dien-1-yl)non-1-ynyl-trimethylsilane is CC1(C)C=CC(CCCCCCCC#C[Si](C)(C)C)=C1[Si](C)(C)C.
What is the InChIKey of 9-(3,3-dimethyl-2-trimethylsilylcyclopenta-1,4-dien-1-yl)non-1-ynyl-trimethylsilane?
The InChIKey is DLIXZEMSZOQOCU-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H40Si2/c1-22(2)18-17-20(21(22)24(6,7)8)16-14-12-10-9-11-13-15-19-23(3,4)5/h17-18H,9-14,16H2,1-8H3.
What are the key properties of 9-(3,3-dimethyl-2-trimethylsilylcyclopenta-1,4-dien-1-yl)non-1-ynyl-trimethylsilane?
9-(3,3-dimethyl-2-trimethylsilylcyclopenta-1,4-dien-1-yl)non-1-ynyl-trimethylsilane has a molecular weight of 360.73 g/mol, XLogP of 7.37, 8 rotatable bonds, 0 hydrogen bond donors, and 0 hydrogen bond acceptors.
Where does this data come from?
All data for 9-(3,3-dimethyl-2-trimethylsilylcyclopenta-1,4-dien-1-yl)non-1-ynyl-trimethylsilane is sourced from PubChem (CID 552286), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).