4-(2-bicyclo[2.2.1]hept-5-enyl)butoxy-dipropylsilane

C17H32OSi — CID 123584449

IUPAC4-(2-bicyclo[2.2.1]hept-5-enyl)butoxy-dipropylsilane
SMILESCCC[SiH](CCC)OCCCCC1CC2C=CC1C2
InChIInChI=1S/C17H32OSi/c1-3-11-19(12-4-2)18-10-6-5-7-16-13-15-8-9-17(16)14-15/h8-9,15-17,19H,3-7,10-14H2,1-2H3
InChIKeySZESOINHMDWUPD-UHFFFAOYSA-N
MW280.53 g/mol
LogP4.93
Rot. Bonds10

About 4-(2-bicyclo[2.2.1]hept-5-enyl)butoxy-dipropylsilane

4-(2-bicyclo[2.2.1]hept-5-enyl)butoxy-dipropylsilane (PubChem CID 123584449) has the molecular formula C17H32OSi and a molecular weight of 280.53 g/mol. Its IUPAC name is 4-(2-bicyclo[2.2.1]hept-5-enyl)butoxy-dipropylsilane.

Molecular Properties

Compound Name4-(2-bicyclo[2.2.1]hept-5-enyl)butoxy-dipropylsilane
PubChem CID123584449
Molecular FormulaC17H32OSi
Molecular Weight280.53 g/mol
Exact Mass280.22
IUPAC Name4-(2-bicyclo[2.2.1]hept-5-enyl)butoxy-dipropylsilane
SMILESCCC[SiH](CCC)OCCCCC1CC2C=CC1C2
InChIInChI=1S/C17H32OSi/c1-3-11-19(12-4-2)18-10-6-5-7-16-13-15-8-9-17(16)14-15/h8-9,15-17,19H,3-7,10-14H2,1-2H3
InChIKeySZESOINHMDWUPD-UHFFFAOYSA-N
XLogP4.93
TPSA9.23 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds10
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500280.53
LogP ≤ 54.93
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 4-(2-bicyclo[2.2.1]hept-5-enyl)butoxy-dipropylsilane?
The IUPAC name of 4-(2-bicyclo[2.2.1]hept-5-enyl)butoxy-dipropylsilane (CID 123584449) is 4-(2-bicyclo[2.2.1]hept-5-enyl)butoxy-dipropylsilane.
What is the SMILES notation for 4-(2-bicyclo[2.2.1]hept-5-enyl)butoxy-dipropylsilane?
The canonical SMILES for 4-(2-bicyclo[2.2.1]hept-5-enyl)butoxy-dipropylsilane is CCC[SiH](CCC)OCCCCC1CC2C=CC1C2.
What is the InChIKey of 4-(2-bicyclo[2.2.1]hept-5-enyl)butoxy-dipropylsilane?
The InChIKey is SZESOINHMDWUPD-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H32OSi/c1-3-11-19(12-4-2)18-10-6-5-7-16-13-15-8-9-17(16)14-15/h8-9,15-17,19H,3-7,10-14H2,1-2H3.
What are the key properties of 4-(2-bicyclo[2.2.1]hept-5-enyl)butoxy-dipropylsilane?
4-(2-bicyclo[2.2.1]hept-5-enyl)butoxy-dipropylsilane has a molecular weight of 280.53 g/mol, XLogP of 4.93, 10 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 4-(2-bicyclo[2.2.1]hept-5-enyl)butoxy-dipropylsilane is sourced from PubChem (CID 123584449), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).