di(propan-2-yl)-pyridin-2-yl-[4-(4,4,5,5-tetramethyl-1,3-dioxolan-2-yl)phenyl]silane

C24H35NO2Si — CID 135076923

IUPACdi(propan-2-yl)-pyridin-2-yl-[4-(4,4,5,5-tetramethyl-1,3-dioxolan-2-yl)phenyl]silane
SMILESCC(C)[Si](c1ccc(C2OC(C)(C)C(C)(C)O2)cc1)(c1ccccn1)C(C)C
InChIInChI=1S/C24H35NO2Si/c1-17(2)28(18(3)4,21-11-9-10-16-25-21)20-14-12-19(13-15-20)22-26-23(5,6)24(7,8)27-22/h9-18,22H,1-8H3
InChIKeyXQYPTPZUGUEYSY-UHFFFAOYSA-N
MW397.64 g/mol
LogP5.07
Rot. Bonds5

About di(propan-2-yl)-pyridin-2-yl-[4-(4,4,5,5-tetramethyl-1,3-dioxolan-2-yl)phenyl]silane

di(propan-2-yl)-pyridin-2-yl-[4-(4,4,5,5-tetramethyl-1,3-dioxolan-2-yl)phenyl]silane (PubChem CID 135076923) has the molecular formula C24H35NO2Si and a molecular weight of 397.64 g/mol. Its IUPAC name is di(propan-2-yl)-pyridin-2-yl-[4-(4,4,5,5-tetramethyl-1,3-dioxolan-2-yl)phenyl]silane.

Molecular Properties

Compound Namedi(propan-2-yl)-pyridin-2-yl-[4-(4,4,5,5-tetramethyl-1,3-dioxolan-2-yl)phenyl]silane
PubChem CID135076923
Molecular FormulaC24H35NO2Si
Molecular Weight397.64 g/mol
Exact Mass397.24
IUPAC Namedi(propan-2-yl)-pyridin-2-yl-[4-(4,4,5,5-tetramethyl-1,3-dioxolan-2-yl)phenyl]silane
SMILESCC(C)[Si](c1ccc(C2OC(C)(C)C(C)(C)O2)cc1)(c1ccccn1)C(C)C
InChIInChI=1S/C24H35NO2Si/c1-17(2)28(18(3)4,21-11-9-10-16-25-21)20-14-12-19(13-15-20)22-26-23(5,6)24(7,8)27-22/h9-18,22H,1-8H3
InChIKeyXQYPTPZUGUEYSY-UHFFFAOYSA-N
XLogP5.07
TPSA31.35 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms28
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500397.64
LogP ≤ 55.07
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 di(propan-2-yl)-pyridin-2-yl-[4-(4,4,5,5-tetramethyl-1,3-dioxolan-2-yl)phenyl]silane?
The IUPAC name of di(propan-2-yl)-pyridin-2-yl-[4-(4,4,5,5-tetramethyl-1,3-dioxolan-2-yl)phenyl]silane (CID 135076923) is di(propan-2-yl)-pyridin-2-yl-[4-(4,4,5,5-tetramethyl-1,3-dioxolan-2-yl)phenyl]silane.
What is the SMILES notation for di(propan-2-yl)-pyridin-2-yl-[4-(4,4,5,5-tetramethyl-1,3-dioxolan-2-yl)phenyl]silane?
The canonical SMILES for di(propan-2-yl)-pyridin-2-yl-[4-(4,4,5,5-tetramethyl-1,3-dioxolan-2-yl)phenyl]silane is CC(C)[Si](c1ccc(C2OC(C)(C)C(C)(C)O2)cc1)(c1ccccn1)C(C)C.
What is the InChIKey of di(propan-2-yl)-pyridin-2-yl-[4-(4,4,5,5-tetramethyl-1,3-dioxolan-2-yl)phenyl]silane?
The InChIKey is XQYPTPZUGUEYSY-UHFFFAOYSA-N. The full InChI is InChI=1S/C24H35NO2Si/c1-17(2)28(18(3)4,21-11-9-10-16-25-21)20-14-12-19(13-15-20)22-26-23(5,6)24(7,8)27-22/h9-18,22H,1-8H3.
What are the key properties of di(propan-2-yl)-pyridin-2-yl-[4-(4,4,5,5-tetramethyl-1,3-dioxolan-2-yl)phenyl]silane?
di(propan-2-yl)-pyridin-2-yl-[4-(4,4,5,5-tetramethyl-1,3-dioxolan-2-yl)phenyl]silane has a molecular weight of 397.64 g/mol, XLogP of 5.07, 5 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for di(propan-2-yl)-pyridin-2-yl-[4-(4,4,5,5-tetramethyl-1,3-dioxolan-2-yl)phenyl]silane is sourced from PubChem (CID 135076923), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).