butyl(trimethoxy)silane;tricyclo[5.2.1.02,6]dec-8-ene-3,5-dione

C17H28O5Si — CID 90943066

IUPACbutyl(trimethoxy)silane;tricyclo[5.2.1.02,6]dec-8-ene-3,5-dione
SMILESCCCC[Si](OC)(OC)OC.O=C1CC(=O)C2C3C=CC(C3)C12
InChIInChI=1S/C10H10O2.C7H18O3Si/c11-7-4-8(12)10-6-2-1-5(3-6)9(7)10;1-5-6-7-11(8-2,9-3)10-4/h1-2,5-6,9-10H,3-4H2;5-7H2,1-4H3
InChIKeySFLGHUQHICUSJZ-UHFFFAOYSA-N
MW340.49 g/mol
LogP2.63
Rot. Bonds6

About butyl(trimethoxy)silane;tricyclo[5.2.1.02,6]dec-8-ene-3,5-dione

butyl(trimethoxy)silane;tricyclo[5.2.1.02,6]dec-8-ene-3,5-dione (PubChem CID 90943066) has the molecular formula C17H28O5Si and a molecular weight of 340.49 g/mol. Its IUPAC name is butyl(trimethoxy)silane;tricyclo[5.2.1.02,6]dec-8-ene-3,5-dione.

Molecular Properties

Compound Namebutyl(trimethoxy)silane;tricyclo[5.2.1.02,6]dec-8-ene-3,5-dione
PubChem CID90943066
Molecular FormulaC17H28O5Si
Molecular Weight340.49 g/mol
Exact Mass340.17
IUPAC Namebutyl(trimethoxy)silane;tricyclo[5.2.1.02,6]dec-8-ene-3,5-dione
SMILESCCCC[Si](OC)(OC)OC.O=C1CC(=O)C2C3C=CC(C3)C12
InChIInChI=1S/C10H10O2.C7H18O3Si/c11-7-4-8(12)10-6-2-1-5(3-6)9(7)10;1-5-6-7-11(8-2,9-3)10-4/h1-2,5-6,9-10H,3-4H2;5-7H2,1-4H3
InChIKeySFLGHUQHICUSJZ-UHFFFAOYSA-N
XLogP2.63
TPSA61.83 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds6
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500340.49
LogP ≤ 52.63
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'beta-keto/anhydride', '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 butyl(trimethoxy)silane;tricyclo[5.2.1.02,6]dec-8-ene-3,5-dione?
The IUPAC name of butyl(trimethoxy)silane;tricyclo[5.2.1.02,6]dec-8-ene-3,5-dione (CID 90943066) is butyl(trimethoxy)silane;tricyclo[5.2.1.02,6]dec-8-ene-3,5-dione.
What is the SMILES notation for butyl(trimethoxy)silane;tricyclo[5.2.1.02,6]dec-8-ene-3,5-dione?
The canonical SMILES for butyl(trimethoxy)silane;tricyclo[5.2.1.02,6]dec-8-ene-3,5-dione is CCCC[Si](OC)(OC)OC.O=C1CC(=O)C2C3C=CC(C3)C12.
What is the InChIKey of butyl(trimethoxy)silane;tricyclo[5.2.1.02,6]dec-8-ene-3,5-dione?
The InChIKey is SFLGHUQHICUSJZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H10O2.C7H18O3Si/c11-7-4-8(12)10-6-2-1-5(3-6)9(7)10;1-5-6-7-11(8-2,9-3)10-4/h1-2,5-6,9-10H,3-4H2;5-7H2,1-4H3.
What are the key properties of butyl(trimethoxy)silane;tricyclo[5.2.1.02,6]dec-8-ene-3,5-dione?
butyl(trimethoxy)silane;tricyclo[5.2.1.02,6]dec-8-ene-3,5-dione has a molecular weight of 340.49 g/mol, XLogP of 2.63, 6 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for butyl(trimethoxy)silane;tricyclo[5.2.1.02,6]dec-8-ene-3,5-dione is sourced from PubChem (CID 90943066), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).