oxetan-3-ylmethyl-phenyl-di(propan-2-yloxy)silane

C16H26O3Si — CID 141200033

IUPACoxetan-3-ylmethyl-phenyl-di(propan-2-yloxy)silane
SMILESCC(C)O[Si](CC1COC1)(OC(C)C)c1ccccc1
InChIInChI=1S/C16H26O3Si/c1-13(2)18-20(19-14(3)4,12-15-10-17-11-15)16-8-6-5-7-9-16/h5-9,13-15H,10-12H2,1-4H3
InChIKeyNWPOUIRKODMZKV-UHFFFAOYSA-N
MW294.47 g/mol
LogP2.83
Rot. Bonds7

About oxetan-3-ylmethyl-phenyl-di(propan-2-yloxy)silane

oxetan-3-ylmethyl-phenyl-di(propan-2-yloxy)silane (PubChem CID 141200033) has the molecular formula C16H26O3Si and a molecular weight of 294.47 g/mol. Its IUPAC name is oxetan-3-ylmethyl-phenyl-di(propan-2-yloxy)silane.

Molecular Properties

Compound Nameoxetan-3-ylmethyl-phenyl-di(propan-2-yloxy)silane
PubChem CID141200033
Molecular FormulaC16H26O3Si
Molecular Weight294.47 g/mol
Exact Mass294.17
IUPAC Nameoxetan-3-ylmethyl-phenyl-di(propan-2-yloxy)silane
SMILESCC(C)O[Si](CC1COC1)(OC(C)C)c1ccccc1
InChIInChI=1S/C16H26O3Si/c1-13(2)18-20(19-14(3)4,12-15-10-17-11-15)16-8-6-5-7-9-16/h5-9,13-15H,10-12H2,1-4H3
InChIKeyNWPOUIRKODMZKV-UHFFFAOYSA-N
XLogP2.83
TPSA27.69 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds7
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500294.47
LogP ≤ 52.83
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of oxetan-3-ylmethyl-phenyl-di(propan-2-yloxy)silane?
The IUPAC name of oxetan-3-ylmethyl-phenyl-di(propan-2-yloxy)silane (CID 141200033) is oxetan-3-ylmethyl-phenyl-di(propan-2-yloxy)silane.
What is the SMILES notation for oxetan-3-ylmethyl-phenyl-di(propan-2-yloxy)silane?
The canonical SMILES for oxetan-3-ylmethyl-phenyl-di(propan-2-yloxy)silane is CC(C)O[Si](CC1COC1)(OC(C)C)c1ccccc1.
What is the InChIKey of oxetan-3-ylmethyl-phenyl-di(propan-2-yloxy)silane?
The InChIKey is NWPOUIRKODMZKV-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H26O3Si/c1-13(2)18-20(19-14(3)4,12-15-10-17-11-15)16-8-6-5-7-9-16/h5-9,13-15H,10-12H2,1-4H3.
What are the key properties of oxetan-3-ylmethyl-phenyl-di(propan-2-yloxy)silane?
oxetan-3-ylmethyl-phenyl-di(propan-2-yloxy)silane has a molecular weight of 294.47 g/mol, XLogP of 2.83, 7 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for oxetan-3-ylmethyl-phenyl-di(propan-2-yloxy)silane is sourced from PubChem (CID 141200033), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).