4-(2-bicyclo[2.2.1]heptanyl)butyl-triethoxysilane

C17H34O3Si — CID 90386606

IUPAC4-(2-bicyclo[2.2.1]heptanyl)butyl-triethoxysilane
SMILESCCO[Si](CCCCC1CC2CCC1C2)(OCC)OCC
InChIInChI=1S/C17H34O3Si/c1-4-18-21(19-5-2,20-6-3)12-8-7-9-16-13-15-10-11-17(16)14-15/h15-17H,4-14H2,1-3H3
InChIKeyPTXPFNBXKXLDHQ-UHFFFAOYSA-N
MW314.54 g/mol
LogP4.64
Rot. Bonds11

About 4-(2-bicyclo[2.2.1]heptanyl)butyl-triethoxysilane

4-(2-bicyclo[2.2.1]heptanyl)butyl-triethoxysilane (PubChem CID 90386606) has the molecular formula C17H34O3Si and a molecular weight of 314.54 g/mol. Its IUPAC name is 4-(2-bicyclo[2.2.1]heptanyl)butyl-triethoxysilane.

Molecular Properties

Compound Name4-(2-bicyclo[2.2.1]heptanyl)butyl-triethoxysilane
PubChem CID90386606
Molecular FormulaC17H34O3Si
Molecular Weight314.54 g/mol
Exact Mass314.23
IUPAC Name4-(2-bicyclo[2.2.1]heptanyl)butyl-triethoxysilane
SMILESCCO[Si](CCCCC1CC2CCC1C2)(OCC)OCC
InChIInChI=1S/C17H34O3Si/c1-4-18-21(19-5-2,20-6-3)12-8-7-9-16-13-15-10-11-17(16)14-15/h15-17H,4-14H2,1-3H3
InChIKeyPTXPFNBXKXLDHQ-UHFFFAOYSA-N
XLogP4.64
TPSA27.69 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds11
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500314.54
LogP ≤ 54.64
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

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Related Compounds

(1S,2S,4S)-2-butylbicyclo[2.2.1]heptane
CID 177495846
(1S,2S,4R)-2-[2-[(1R,2S,4S)-2-bicyclo[2.2.1]heptanyl]ethyl]bicyclo[2.2.1]heptane
CID 54589598
(1S,2S,4R)-2-ethylbicyclo[2.2.1]heptane
CID 124524751
2-bicyclo[2.2.1]heptanylmethoxy-ethenyl-dimethylsilane
CID 69411602
ethyl 3-[(1S,2S,4S)-2-bicyclo[2.2.1]heptanyl]propanoate
CID 98287617
2-ethylbicyclo[2.2.1]heptane;methane
CID 169189353
6-(2-bicyclo[2.2.1]heptanyl)-N,2-dimethylhexan-3-amine
CID 79550883
2-(2-bicyclo[2.2.1]heptanyl)ethyl-methoxysilane
CID 173472189
N-[3-(2-bicyclo[2.2.1]heptanyl)propyl]-2-methylpropan-2-amine
CID 79563092
2-[(1S,4R)-2-bicyclo[2.2.1]heptanyl]ethanol
CID 14043124
10-(1,3-dioxan-2-yl)decyl-triethoxysilane
CID 121235674
dodecyl(triethoxy)silane;tridecane
CID 174970002

Frequently Asked Questions

What is the IUPAC name of 4-(2-bicyclo[2.2.1]heptanyl)butyl-triethoxysilane?
The IUPAC name of 4-(2-bicyclo[2.2.1]heptanyl)butyl-triethoxysilane (CID 90386606) is 4-(2-bicyclo[2.2.1]heptanyl)butyl-triethoxysilane.
What is the SMILES notation for 4-(2-bicyclo[2.2.1]heptanyl)butyl-triethoxysilane?
The canonical SMILES for 4-(2-bicyclo[2.2.1]heptanyl)butyl-triethoxysilane is CCO[Si](CCCCC1CC2CCC1C2)(OCC)OCC.
What is the InChIKey of 4-(2-bicyclo[2.2.1]heptanyl)butyl-triethoxysilane?
The InChIKey is PTXPFNBXKXLDHQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H34O3Si/c1-4-18-21(19-5-2,20-6-3)12-8-7-9-16-13-15-10-11-17(16)14-15/h15-17H,4-14H2,1-3H3.
What are the key properties of 4-(2-bicyclo[2.2.1]heptanyl)butyl-triethoxysilane?
4-(2-bicyclo[2.2.1]heptanyl)butyl-triethoxysilane has a molecular weight of 314.54 g/mol, XLogP of 4.64, 11 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 4-(2-bicyclo[2.2.1]heptanyl)butyl-triethoxysilane is sourced from PubChem (CID 90386606), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).