9-(2-bicyclo[2.2.1]hept-5-enyl)nonoxy-dimethylsilane

C18H34OSi — CID 123205919

IUPAC9-(2-bicyclo[2.2.1]hept-5-enyl)nonoxy-dimethylsilane
SMILESC[SiH](C)OCCCCCCCCCC1CC2C=CC1C2
InChIInChI=1S/C18H34OSi/c1-20(2)19-13-9-7-5-3-4-6-8-10-17-14-16-11-12-18(17)15-16/h11-12,16-18,20H,3-10,13-15H2,1-2H3
InChIKeyZLDWZUOHFVYOQV-UHFFFAOYSA-N
MW294.56 g/mol
LogP5.32
Rot. Bonds11

About 9-(2-bicyclo[2.2.1]hept-5-enyl)nonoxy-dimethylsilane

9-(2-bicyclo[2.2.1]hept-5-enyl)nonoxy-dimethylsilane (PubChem CID 123205919) has the molecular formula C18H34OSi and a molecular weight of 294.56 g/mol. Its IUPAC name is 9-(2-bicyclo[2.2.1]hept-5-enyl)nonoxy-dimethylsilane.

Molecular Properties

Compound Name9-(2-bicyclo[2.2.1]hept-5-enyl)nonoxy-dimethylsilane
PubChem CID123205919
Molecular FormulaC18H34OSi
Molecular Weight294.56 g/mol
Exact Mass294.24
IUPAC Name9-(2-bicyclo[2.2.1]hept-5-enyl)nonoxy-dimethylsilane
SMILESC[SiH](C)OCCCCCCCCCC1CC2C=CC1C2
InChIInChI=1S/C18H34OSi/c1-20(2)19-13-9-7-5-3-4-6-8-10-17-14-16-11-12-18(17)15-16/h11-12,16-18,20H,3-10,13-15H2,1-2H3
InChIKeyZLDWZUOHFVYOQV-UHFFFAOYSA-N
XLogP5.32
TPSA9.23 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds11
Heavy Atoms20
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500294.56
LogP ≤ 55.32
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 101

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of 9-(2-bicyclo[2.2.1]hept-5-enyl)nonoxy-dimethylsilane?
The IUPAC name of 9-(2-bicyclo[2.2.1]hept-5-enyl)nonoxy-dimethylsilane (CID 123205919) is 9-(2-bicyclo[2.2.1]hept-5-enyl)nonoxy-dimethylsilane.
What is the SMILES notation for 9-(2-bicyclo[2.2.1]hept-5-enyl)nonoxy-dimethylsilane?
The canonical SMILES for 9-(2-bicyclo[2.2.1]hept-5-enyl)nonoxy-dimethylsilane is C[SiH](C)OCCCCCCCCCC1CC2C=CC1C2.
What is the InChIKey of 9-(2-bicyclo[2.2.1]hept-5-enyl)nonoxy-dimethylsilane?
The InChIKey is ZLDWZUOHFVYOQV-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H34OSi/c1-20(2)19-13-9-7-5-3-4-6-8-10-17-14-16-11-12-18(17)15-16/h11-12,16-18,20H,3-10,13-15H2,1-2H3.
What are the key properties of 9-(2-bicyclo[2.2.1]hept-5-enyl)nonoxy-dimethylsilane?
9-(2-bicyclo[2.2.1]hept-5-enyl)nonoxy-dimethylsilane has a molecular weight of 294.56 g/mol, XLogP of 5.32, 11 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 9-(2-bicyclo[2.2.1]hept-5-enyl)nonoxy-dimethylsilane is sourced from PubChem (CID 123205919), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).