3-(2-bicyclo[2.2.1]hept-5-enyl)propoxy-dibutylsilane

C18H34OSi — CID 123162334

IUPAC3-(2-bicyclo[2.2.1]hept-5-enyl)propoxy-dibutylsilane
SMILESCCCC[SiH](CCCC)OCCCC1CC2C=CC1C2
InChIInChI=1S/C18H34OSi/c1-3-5-12-20(13-6-4-2)19-11-7-8-17-14-16-9-10-18(17)15-16/h9-10,16-18,20H,3-8,11-15H2,1-2H3
InChIKeyCESGUOUGJBUYDU-UHFFFAOYSA-N
MW294.56 g/mol
LogP5.32
Rot. Bonds11

About 3-(2-bicyclo[2.2.1]hept-5-enyl)propoxy-dibutylsilane

3-(2-bicyclo[2.2.1]hept-5-enyl)propoxy-dibutylsilane (PubChem CID 123162334) has the molecular formula C18H34OSi and a molecular weight of 294.56 g/mol. Its IUPAC name is 3-(2-bicyclo[2.2.1]hept-5-enyl)propoxy-dibutylsilane.

Molecular Properties

Compound Name3-(2-bicyclo[2.2.1]hept-5-enyl)propoxy-dibutylsilane
PubChem CID123162334
Molecular FormulaC18H34OSi
Molecular Weight294.56 g/mol
Exact Mass294.24
IUPAC Name3-(2-bicyclo[2.2.1]hept-5-enyl)propoxy-dibutylsilane
SMILESCCCC[SiH](CCCC)OCCCC1CC2C=CC1C2
InChIInChI=1S/C18H34OSi/c1-3-5-12-20(13-6-4-2)19-11-7-8-17-14-16-9-10-18(17)15-16/h9-10,16-18,20H,3-8,11-15H2,1-2H3
InChIKeyCESGUOUGJBUYDU-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 3-(2-bicyclo[2.2.1]hept-5-enyl)propoxy-dibutylsilane?
The IUPAC name of 3-(2-bicyclo[2.2.1]hept-5-enyl)propoxy-dibutylsilane (CID 123162334) is 3-(2-bicyclo[2.2.1]hept-5-enyl)propoxy-dibutylsilane.
What is the SMILES notation for 3-(2-bicyclo[2.2.1]hept-5-enyl)propoxy-dibutylsilane?
The canonical SMILES for 3-(2-bicyclo[2.2.1]hept-5-enyl)propoxy-dibutylsilane is CCCC[SiH](CCCC)OCCCC1CC2C=CC1C2.
What is the InChIKey of 3-(2-bicyclo[2.2.1]hept-5-enyl)propoxy-dibutylsilane?
The InChIKey is CESGUOUGJBUYDU-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H34OSi/c1-3-5-12-20(13-6-4-2)19-11-7-8-17-14-16-9-10-18(17)15-16/h9-10,16-18,20H,3-8,11-15H2,1-2H3.
What are the key properties of 3-(2-bicyclo[2.2.1]hept-5-enyl)propoxy-dibutylsilane?
3-(2-bicyclo[2.2.1]hept-5-enyl)propoxy-dibutylsilane 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 3-(2-bicyclo[2.2.1]hept-5-enyl)propoxy-dibutylsilane is sourced from PubChem (CID 123162334), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).