1-triethoxysilylpropyl 2-methylbicyclo[2.2.1]hept-5-ene-2-carboxylate

C18H32O5Si — CID 22388806

IUPAC1-triethoxysilylpropyl 2-methylbicyclo[2.2.1]hept-5-ene-2-carboxylate
SMILESCCO[Si](OCC)(OCC)C(CC)OC(=O)C1(C)CC2C=CC1C2
InChIInChI=1S/C18H32O5Si/c1-6-16(24(20-7-2,21-8-3)22-9-4)23-17(19)18(5)13-14-10-11-15(18)12-14/h10-11,14-16H,6-9,12-13H2,1-5H3
InChIKeyCVRWOLZNWAHFGJ-UHFFFAOYSA-N
MW356.54 g/mol
LogP3.50
Rot. Bonds10

About 1-triethoxysilylpropyl 2-methylbicyclo[2.2.1]hept-5-ene-2-carboxylate

1-triethoxysilylpropyl 2-methylbicyclo[2.2.1]hept-5-ene-2-carboxylate (PubChem CID 22388806) has the molecular formula C18H32O5Si and a molecular weight of 356.54 g/mol. Its IUPAC name is 1-triethoxysilylpropyl 2-methylbicyclo[2.2.1]hept-5-ene-2-carboxylate.

Molecular Properties

Compound Name1-triethoxysilylpropyl 2-methylbicyclo[2.2.1]hept-5-ene-2-carboxylate
PubChem CID22388806
Molecular FormulaC18H32O5Si
Molecular Weight356.54 g/mol
Exact Mass356.20
IUPAC Name1-triethoxysilylpropyl 2-methylbicyclo[2.2.1]hept-5-ene-2-carboxylate
SMILESCCO[Si](OCC)(OCC)C(CC)OC(=O)C1(C)CC2C=CC1C2
InChIInChI=1S/C18H32O5Si/c1-6-16(24(20-7-2,21-8-3)22-9-4)23-17(19)18(5)13-14-10-11-15(18)12-14/h10-11,14-16H,6-9,12-13H2,1-5H3
InChIKeyCVRWOLZNWAHFGJ-UHFFFAOYSA-N
XLogP3.50
TPSA53.99 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds10
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500356.54
LogP ≤ 53.50
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

Structural Alerts{'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 1-triethoxysilylpropyl 2-methylbicyclo[2.2.1]hept-5-ene-2-carboxylate?
The IUPAC name of 1-triethoxysilylpropyl 2-methylbicyclo[2.2.1]hept-5-ene-2-carboxylate (CID 22388806) is 1-triethoxysilylpropyl 2-methylbicyclo[2.2.1]hept-5-ene-2-carboxylate.
What is the SMILES notation for 1-triethoxysilylpropyl 2-methylbicyclo[2.2.1]hept-5-ene-2-carboxylate?
The canonical SMILES for 1-triethoxysilylpropyl 2-methylbicyclo[2.2.1]hept-5-ene-2-carboxylate is CCO[Si](OCC)(OCC)C(CC)OC(=O)C1(C)CC2C=CC1C2.
What is the InChIKey of 1-triethoxysilylpropyl 2-methylbicyclo[2.2.1]hept-5-ene-2-carboxylate?
The InChIKey is CVRWOLZNWAHFGJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H32O5Si/c1-6-16(24(20-7-2,21-8-3)22-9-4)23-17(19)18(5)13-14-10-11-15(18)12-14/h10-11,14-16H,6-9,12-13H2,1-5H3.
What are the key properties of 1-triethoxysilylpropyl 2-methylbicyclo[2.2.1]hept-5-ene-2-carboxylate?
1-triethoxysilylpropyl 2-methylbicyclo[2.2.1]hept-5-ene-2-carboxylate has a molecular weight of 356.54 g/mol, XLogP of 3.50, 10 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 1-triethoxysilylpropyl 2-methylbicyclo[2.2.1]hept-5-ene-2-carboxylate is sourced from PubChem (CID 22388806), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).