butoxy-[(6,6-dimethyl-2-bicyclo[3.1.1]hept-2-enyl)methoxy]-diphenylsilane

C26H34O2Si — CID 91732683

IUPACbutoxy-[(6,6-dimethyl-2-bicyclo[3.1.1]hept-2-enyl)methoxy]-diphenylsilane
SMILESCCCCO[Si](OCC1=CCC2CC1C2(C)C)(c1ccccc1)c1ccccc1
InChIInChI=1S/C26H34O2Si/c1-4-5-18-27-29(23-12-8-6-9-13-23,24-14-10-7-11-15-24)28-20-21-16-17-22-19-25(21)26(22,2)3/h6-16,22,25H,4-5,17-20H2,1-3H3
InChIKeyNJUJHTMIXHAUPF-UHFFFAOYSA-N
MW406.64 g/mol
LogP5.07
Rot. Bonds9

About butoxy-[(6,6-dimethyl-2-bicyclo[3.1.1]hept-2-enyl)methoxy]-diphenylsilane

butoxy-[(6,6-dimethyl-2-bicyclo[3.1.1]hept-2-enyl)methoxy]-diphenylsilane (PubChem CID 91732683) has the molecular formula C26H34O2Si and a molecular weight of 406.64 g/mol. Its IUPAC name is butoxy-[(6,6-dimethyl-2-bicyclo[3.1.1]hept-2-enyl)methoxy]-diphenylsilane.

Molecular Properties

Compound Namebutoxy-[(6,6-dimethyl-2-bicyclo[3.1.1]hept-2-enyl)methoxy]-diphenylsilane
PubChem CID91732683
Molecular FormulaC26H34O2Si
Molecular Weight406.64 g/mol
Exact Mass406.23
IUPAC Namebutoxy-[(6,6-dimethyl-2-bicyclo[3.1.1]hept-2-enyl)methoxy]-diphenylsilane
SMILESCCCCO[Si](OCC1=CCC2CC1C2(C)C)(c1ccccc1)c1ccccc1
InChIInChI=1S/C26H34O2Si/c1-4-5-18-27-29(23-12-8-6-9-13-23,24-14-10-7-11-15-24)28-20-21-16-17-22-19-25(21)26(22,2)3/h6-16,22,25H,4-5,17-20H2,1-3H3
InChIKeyNJUJHTMIXHAUPF-UHFFFAOYSA-N
XLogP5.07
TPSA18.46 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds9
Heavy Atoms29
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500406.64
LogP ≤ 55.07
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

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 butoxy-[(6,6-dimethyl-2-bicyclo[3.1.1]hept-2-enyl)methoxy]-diphenylsilane?
The IUPAC name of butoxy-[(6,6-dimethyl-2-bicyclo[3.1.1]hept-2-enyl)methoxy]-diphenylsilane (CID 91732683) is butoxy-[(6,6-dimethyl-2-bicyclo[3.1.1]hept-2-enyl)methoxy]-diphenylsilane.
What is the SMILES notation for butoxy-[(6,6-dimethyl-2-bicyclo[3.1.1]hept-2-enyl)methoxy]-diphenylsilane?
The canonical SMILES for butoxy-[(6,6-dimethyl-2-bicyclo[3.1.1]hept-2-enyl)methoxy]-diphenylsilane is CCCCO[Si](OCC1=CCC2CC1C2(C)C)(c1ccccc1)c1ccccc1.
What is the InChIKey of butoxy-[(6,6-dimethyl-2-bicyclo[3.1.1]hept-2-enyl)methoxy]-diphenylsilane?
The InChIKey is NJUJHTMIXHAUPF-UHFFFAOYSA-N. The full InChI is InChI=1S/C26H34O2Si/c1-4-5-18-27-29(23-12-8-6-9-13-23,24-14-10-7-11-15-24)28-20-21-16-17-22-19-25(21)26(22,2)3/h6-16,22,25H,4-5,17-20H2,1-3H3.
What are the key properties of butoxy-[(6,6-dimethyl-2-bicyclo[3.1.1]hept-2-enyl)methoxy]-diphenylsilane?
butoxy-[(6,6-dimethyl-2-bicyclo[3.1.1]hept-2-enyl)methoxy]-diphenylsilane has a molecular weight of 406.64 g/mol, XLogP of 5.07, 9 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for butoxy-[(6,6-dimethyl-2-bicyclo[3.1.1]hept-2-enyl)methoxy]-diphenylsilane is sourced from PubChem (CID 91732683), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).