[2-(2-bicyclo[2.2.1]heptanyl)-1-trimethylsilylethyl]-tripropylsilane

C21H44Si2 — CID 85207317

IUPAC[2-(2-bicyclo[2.2.1]heptanyl)-1-trimethylsilylethyl]-tripropylsilane
SMILESCCC[Si](CCC)(CCC)C(CC1CC2CCC1C2)[Si](C)(C)C
InChIInChI=1S/C21H44Si2/c1-7-12-23(13-8-2,14-9-3)21(22(4,5)6)17-20-16-18-10-11-19(20)15-18/h18-21H,7-17H2,1-6H3
InChIKeyRKXAWOPHNSHGQV-UHFFFAOYSA-N
MW352.76 g/mol
LogP7.74
Rot. Bonds10

About [2-(2-bicyclo[2.2.1]heptanyl)-1-trimethylsilylethyl]-tripropylsilane

[2-(2-bicyclo[2.2.1]heptanyl)-1-trimethylsilylethyl]-tripropylsilane (PubChem CID 85207317) has the molecular formula C21H44Si2 and a molecular weight of 352.76 g/mol. Its IUPAC name is [2-(2-bicyclo[2.2.1]heptanyl)-1-trimethylsilylethyl]-tripropylsilane.

Molecular Properties

Compound Name[2-(2-bicyclo[2.2.1]heptanyl)-1-trimethylsilylethyl]-tripropylsilane
PubChem CID85207317
Molecular FormulaC21H44Si2
Molecular Weight352.76 g/mol
Exact Mass352.30
IUPAC Name[2-(2-bicyclo[2.2.1]heptanyl)-1-trimethylsilylethyl]-tripropylsilane
SMILESCCC[Si](CCC)(CCC)C(CC1CC2CCC1C2)[Si](C)(C)C
InChIInChI=1S/C21H44Si2/c1-7-12-23(13-8-2,14-9-3)21(22(4,5)6)17-20-16-18-10-11-19(20)15-18/h18-21H,7-17H2,1-6H3
InChIKeyRKXAWOPHNSHGQV-UHFFFAOYSA-N
XLogP7.74
TPSA0.00 Ų
H-Bond Donors
H-Bond Acceptors
Rotatable Bonds10
Heavy Atoms23
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500352.76
LogP ≤ 57.74
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 100

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of [2-(2-bicyclo[2.2.1]heptanyl)-1-trimethylsilylethyl]-tripropylsilane?
The IUPAC name of [2-(2-bicyclo[2.2.1]heptanyl)-1-trimethylsilylethyl]-tripropylsilane (CID 85207317) is [2-(2-bicyclo[2.2.1]heptanyl)-1-trimethylsilylethyl]-tripropylsilane.
What is the SMILES notation for [2-(2-bicyclo[2.2.1]heptanyl)-1-trimethylsilylethyl]-tripropylsilane?
The canonical SMILES for [2-(2-bicyclo[2.2.1]heptanyl)-1-trimethylsilylethyl]-tripropylsilane is CCC[Si](CCC)(CCC)C(CC1CC2CCC1C2)[Si](C)(C)C.
What is the InChIKey of [2-(2-bicyclo[2.2.1]heptanyl)-1-trimethylsilylethyl]-tripropylsilane?
The InChIKey is RKXAWOPHNSHGQV-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H44Si2/c1-7-12-23(13-8-2,14-9-3)21(22(4,5)6)17-20-16-18-10-11-19(20)15-18/h18-21H,7-17H2,1-6H3.
What are the key properties of [2-(2-bicyclo[2.2.1]heptanyl)-1-trimethylsilylethyl]-tripropylsilane?
[2-(2-bicyclo[2.2.1]heptanyl)-1-trimethylsilylethyl]-tripropylsilane has a molecular weight of 352.76 g/mol, XLogP of 7.74, 10 rotatable bonds, 0 hydrogen bond donors, and 0 hydrogen bond acceptors.
Where does this data come from?
All data for [2-(2-bicyclo[2.2.1]heptanyl)-1-trimethylsilylethyl]-tripropylsilane is sourced from PubChem (CID 85207317), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).