triethoxy-[1-(3-phenylpropyl)azetidin-2-yl]silane

C18H31NO3Si — CID 21024249

IUPACtriethoxy-[1-(3-phenylpropyl)azetidin-2-yl]silane
SMILESCCO[Si](OCC)(OCC)C1CCN1CCCc1ccccc1
InChIInChI=1S/C18H31NO3Si/c1-4-20-23(21-5-2,22-6-3)18-14-16-19(18)15-10-13-17-11-8-7-9-12-17/h7-9,11-12,18H,4-6,10,13-16H2,1-3H3
InChIKeySBQBKWSVFQHGDM-UHFFFAOYSA-N
MW337.54 g/mol
LogP3.28
Rot. Bonds11

About triethoxy-[1-(3-phenylpropyl)azetidin-2-yl]silane

triethoxy-[1-(3-phenylpropyl)azetidin-2-yl]silane (PubChem CID 21024249) has the molecular formula C18H31NO3Si and a molecular weight of 337.54 g/mol. Its IUPAC name is triethoxy-[1-(3-phenylpropyl)azetidin-2-yl]silane.

Molecular Properties

Compound Nametriethoxy-[1-(3-phenylpropyl)azetidin-2-yl]silane
PubChem CID21024249
Molecular FormulaC18H31NO3Si
Molecular Weight337.54 g/mol
Exact Mass337.21
IUPAC Nametriethoxy-[1-(3-phenylpropyl)azetidin-2-yl]silane
SMILESCCO[Si](OCC)(OCC)C1CCN1CCCc1ccccc1
InChIInChI=1S/C18H31NO3Si/c1-4-20-23(21-5-2,22-6-3)18-14-16-19(18)15-10-13-17-11-8-7-9-12-17/h7-9,11-12,18H,4-6,10,13-16H2,1-3H3
InChIKeySBQBKWSVFQHGDM-UHFFFAOYSA-N
XLogP3.28
TPSA30.93 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds11
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500337.54
LogP ≤ 53.28
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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 triethoxy-[1-(3-phenylpropyl)azetidin-2-yl]silane?
The IUPAC name of triethoxy-[1-(3-phenylpropyl)azetidin-2-yl]silane (CID 21024249) is triethoxy-[1-(3-phenylpropyl)azetidin-2-yl]silane.
What is the SMILES notation for triethoxy-[1-(3-phenylpropyl)azetidin-2-yl]silane?
The canonical SMILES for triethoxy-[1-(3-phenylpropyl)azetidin-2-yl]silane is CCO[Si](OCC)(OCC)C1CCN1CCCc1ccccc1.
What is the InChIKey of triethoxy-[1-(3-phenylpropyl)azetidin-2-yl]silane?
The InChIKey is SBQBKWSVFQHGDM-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H31NO3Si/c1-4-20-23(21-5-2,22-6-3)18-14-16-19(18)15-10-13-17-11-8-7-9-12-17/h7-9,11-12,18H,4-6,10,13-16H2,1-3H3.
What are the key properties of triethoxy-[1-(3-phenylpropyl)azetidin-2-yl]silane?
triethoxy-[1-(3-phenylpropyl)azetidin-2-yl]silane has a molecular weight of 337.54 g/mol, XLogP of 3.28, 11 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for triethoxy-[1-(3-phenylpropyl)azetidin-2-yl]silane is sourced from PubChem (CID 21024249), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).