3-trimethoxysilylpropyl (1S)-bicyclo[2.2.1]hept-2-ene-2-carboxylate

C14H24O5Si — CID 69434520

IUPAC3-trimethoxysilylpropyl (1S)-bicyclo[2.2.1]hept-2-ene-2-carboxylate
SMILESCO[Si](CCCOC(=O)C1=CC2CC[C@H]1C2)(OC)OC
InChIInChI=1S/C14H24O5Si/c1-16-20(17-2,18-3)8-4-7-19-14(15)13-10-11-5-6-12(13)9-11/h10-12H,4-9H2,1-3H3/t11?,12-/m0/s1
InChIKeyRYKMBUJQBWGISM-KIYNQFGBSA-N
MW300.43 g/mol
LogP2.15
Rot. Bonds8

About 3-trimethoxysilylpropyl (1S)-bicyclo[2.2.1]hept-2-ene-2-carboxylate

3-trimethoxysilylpropyl (1S)-bicyclo[2.2.1]hept-2-ene-2-carboxylate (PubChem CID 69434520) has the molecular formula C14H24O5Si and a molecular weight of 300.43 g/mol. Its IUPAC name is 3-trimethoxysilylpropyl (1S)-bicyclo[2.2.1]hept-2-ene-2-carboxylate.

Molecular Properties

Compound Name3-trimethoxysilylpropyl (1S)-bicyclo[2.2.1]hept-2-ene-2-carboxylate
PubChem CID69434520
Molecular FormulaC14H24O5Si
Molecular Weight300.43 g/mol
Exact Mass300.14
IUPAC Name3-trimethoxysilylpropyl (1S)-bicyclo[2.2.1]hept-2-ene-2-carboxylate
SMILESCO[Si](CCCOC(=O)C1=CC2CC[C@H]1C2)(OC)OC
InChIInChI=1S/C14H24O5Si/c1-16-20(17-2,18-3)8-4-7-19-14(15)13-10-11-5-6-12(13)9-11/h10-12H,4-9H2,1-3H3/t11?,12-/m0/s1
InChIKeyRYKMBUJQBWGISM-KIYNQFGBSA-N
XLogP2.15
TPSA53.99 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds8
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500300.43
LogP ≤ 52.15
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of 3-trimethoxysilylpropyl (1S)-bicyclo[2.2.1]hept-2-ene-2-carboxylate?
The IUPAC name of 3-trimethoxysilylpropyl (1S)-bicyclo[2.2.1]hept-2-ene-2-carboxylate (CID 69434520) is 3-trimethoxysilylpropyl (1S)-bicyclo[2.2.1]hept-2-ene-2-carboxylate.
What is the SMILES notation for 3-trimethoxysilylpropyl (1S)-bicyclo[2.2.1]hept-2-ene-2-carboxylate?
The canonical SMILES for 3-trimethoxysilylpropyl (1S)-bicyclo[2.2.1]hept-2-ene-2-carboxylate is CO[Si](CCCOC(=O)C1=CC2CC[C@H]1C2)(OC)OC.
What is the InChIKey of 3-trimethoxysilylpropyl (1S)-bicyclo[2.2.1]hept-2-ene-2-carboxylate?
The InChIKey is RYKMBUJQBWGISM-KIYNQFGBSA-N. The full InChI is InChI=1S/C14H24O5Si/c1-16-20(17-2,18-3)8-4-7-19-14(15)13-10-11-5-6-12(13)9-11/h10-12H,4-9H2,1-3H3/t11?,12-/m0/s1.
What are the key properties of 3-trimethoxysilylpropyl (1S)-bicyclo[2.2.1]hept-2-ene-2-carboxylate?
3-trimethoxysilylpropyl (1S)-bicyclo[2.2.1]hept-2-ene-2-carboxylate has a molecular weight of 300.43 g/mol, XLogP of 2.15, 8 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 3-trimethoxysilylpropyl (1S)-bicyclo[2.2.1]hept-2-ene-2-carboxylate is sourced from PubChem (CID 69434520), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).