[3-(1,3-dioxolan-2-yl)-2-fluorophenoxy]-tri(propan-2-yl)silane

C18H29FO3Si — CID 174431012

IUPAC[3-(1,3-dioxolan-2-yl)-2-fluorophenoxy]-tri(propan-2-yl)silane
SMILESCC(C)[Si](Oc1cccc(C2OCCO2)c1F)(C(C)C)C(C)C
InChIInChI=1S/C18H29FO3Si/c1-12(2)23(13(3)4,14(5)6)22-16-9-7-8-15(17(16)19)18-20-10-11-21-18/h7-9,12-14,18H,10-11H2,1-6H3
InChIKeyZQLHZMFOFCLKQJ-UHFFFAOYSA-N
MW340.51 g/mol
LogP5.43
Rot. Bonds6

About [3-(1,3-dioxolan-2-yl)-2-fluorophenoxy]-tri(propan-2-yl)silane

[3-(1,3-dioxolan-2-yl)-2-fluorophenoxy]-tri(propan-2-yl)silane (PubChem CID 174431012) has the molecular formula C18H29FO3Si and a molecular weight of 340.51 g/mol. Its IUPAC name is [3-(1,3-dioxolan-2-yl)-2-fluorophenoxy]-tri(propan-2-yl)silane.

Molecular Properties

Compound Name[3-(1,3-dioxolan-2-yl)-2-fluorophenoxy]-tri(propan-2-yl)silane
PubChem CID174431012
Molecular FormulaC18H29FO3Si
Molecular Weight340.51 g/mol
Exact Mass340.19
IUPAC Name[3-(1,3-dioxolan-2-yl)-2-fluorophenoxy]-tri(propan-2-yl)silane
SMILESCC(C)[Si](Oc1cccc(C2OCCO2)c1F)(C(C)C)C(C)C
InChIInChI=1S/C18H29FO3Si/c1-12(2)23(13(3)4,14(5)6)22-16-9-7-8-15(17(16)19)18-20-10-11-21-18/h7-9,12-14,18H,10-11H2,1-6H3
InChIKeyZQLHZMFOFCLKQJ-UHFFFAOYSA-N
XLogP5.43
TPSA27.69 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms23
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500340.51
LogP ≤ 55.43
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 [3-(1,3-dioxolan-2-yl)-2-fluorophenoxy]-tri(propan-2-yl)silane?
The IUPAC name of [3-(1,3-dioxolan-2-yl)-2-fluorophenoxy]-tri(propan-2-yl)silane (CID 174431012) is [3-(1,3-dioxolan-2-yl)-2-fluorophenoxy]-tri(propan-2-yl)silane.
What is the SMILES notation for [3-(1,3-dioxolan-2-yl)-2-fluorophenoxy]-tri(propan-2-yl)silane?
The canonical SMILES for [3-(1,3-dioxolan-2-yl)-2-fluorophenoxy]-tri(propan-2-yl)silane is CC(C)[Si](Oc1cccc(C2OCCO2)c1F)(C(C)C)C(C)C.
What is the InChIKey of [3-(1,3-dioxolan-2-yl)-2-fluorophenoxy]-tri(propan-2-yl)silane?
The InChIKey is ZQLHZMFOFCLKQJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H29FO3Si/c1-12(2)23(13(3)4,14(5)6)22-16-9-7-8-15(17(16)19)18-20-10-11-21-18/h7-9,12-14,18H,10-11H2,1-6H3.
What are the key properties of [3-(1,3-dioxolan-2-yl)-2-fluorophenoxy]-tri(propan-2-yl)silane?
[3-(1,3-dioxolan-2-yl)-2-fluorophenoxy]-tri(propan-2-yl)silane has a molecular weight of 340.51 g/mol, XLogP of 5.43, 6 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for [3-(1,3-dioxolan-2-yl)-2-fluorophenoxy]-tri(propan-2-yl)silane is sourced from PubChem (CID 174431012), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).