[3-butoxy-3-(oxetan-2-yl)propyl]-triphenoxysilane

C28H34O5Si — CID 67772829

IUPAC[3-butoxy-3-(oxetan-2-yl)propyl]-triphenoxysilane
SMILESCCCCOC(CC[Si](Oc1ccccc1)(Oc1ccccc1)Oc1ccccc1)C1CCO1
InChIInChI=1S/C28H34O5Si/c1-2-3-21-29-28(27-19-22-30-27)20-23-34(31-24-13-7-4-8-14-24,32-25-15-9-5-10-16-25)33-26-17-11-6-12-18-26/h4-18,27-28H,2-3,19-23H2,1H3
InChIKeyMIUNVLZVCXKUHJ-UHFFFAOYSA-N
MW478.66 g/mol
LogP6.53
Rot. Bonds14

About [3-butoxy-3-(oxetan-2-yl)propyl]-triphenoxysilane

[3-butoxy-3-(oxetan-2-yl)propyl]-triphenoxysilane (PubChem CID 67772829) has the molecular formula C28H34O5Si and a molecular weight of 478.66 g/mol. Its IUPAC name is [3-butoxy-3-(oxetan-2-yl)propyl]-triphenoxysilane.

Molecular Properties

Compound Name[3-butoxy-3-(oxetan-2-yl)propyl]-triphenoxysilane
PubChem CID67772829
Molecular FormulaC28H34O5Si
Molecular Weight478.66 g/mol
Exact Mass478.22
IUPAC Name[3-butoxy-3-(oxetan-2-yl)propyl]-triphenoxysilane
SMILESCCCCOC(CC[Si](Oc1ccccc1)(Oc1ccccc1)Oc1ccccc1)C1CCO1
InChIInChI=1S/C28H34O5Si/c1-2-3-21-29-28(27-19-22-30-27)20-23-34(31-24-13-7-4-8-14-24,32-25-15-9-5-10-16-25)33-26-17-11-6-12-18-26/h4-18,27-28H,2-3,19-23H2,1H3
InChIKeyMIUNVLZVCXKUHJ-UHFFFAOYSA-N
XLogP6.53
TPSA46.15 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds14
Heavy Atoms34
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500478.66
LogP ≤ 56.53
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-butoxy-3-(oxetan-2-yl)propyl]-triphenoxysilane?
The IUPAC name of [3-butoxy-3-(oxetan-2-yl)propyl]-triphenoxysilane (CID 67772829) is [3-butoxy-3-(oxetan-2-yl)propyl]-triphenoxysilane.
What is the SMILES notation for [3-butoxy-3-(oxetan-2-yl)propyl]-triphenoxysilane?
The canonical SMILES for [3-butoxy-3-(oxetan-2-yl)propyl]-triphenoxysilane is CCCCOC(CC[Si](Oc1ccccc1)(Oc1ccccc1)Oc1ccccc1)C1CCO1.
What is the InChIKey of [3-butoxy-3-(oxetan-2-yl)propyl]-triphenoxysilane?
The InChIKey is MIUNVLZVCXKUHJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C28H34O5Si/c1-2-3-21-29-28(27-19-22-30-27)20-23-34(31-24-13-7-4-8-14-24,32-25-15-9-5-10-16-25)33-26-17-11-6-12-18-26/h4-18,27-28H,2-3,19-23H2,1H3.
What are the key properties of [3-butoxy-3-(oxetan-2-yl)propyl]-triphenoxysilane?
[3-butoxy-3-(oxetan-2-yl)propyl]-triphenoxysilane has a molecular weight of 478.66 g/mol, XLogP of 6.53, 14 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for [3-butoxy-3-(oxetan-2-yl)propyl]-triphenoxysilane is sourced from PubChem (CID 67772829), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).