tri(propan-2-yl)-[(5,5,6-trimethyl-5-silabicyclo[2.1.1]hexa-1(6),2-dien-2-yl)oxy]silane

C17H32OSi2 — CID 91267723

IUPACtri(propan-2-yl)-[(5,5,6-trimethyl-5-silabicyclo[2.1.1]hexa-1(6),2-dien-2-yl)oxy]silane
SMILESCC1=C2C(O[Si](C(C)C)(C(C)C)C(C)C)=CC1[Si]2(C)C
InChIInChI=1S/C17H32OSi2/c1-11(2)20(12(3)4,13(5)6)18-15-10-16-14(7)17(15)19(16,8)9/h10-13,16H,1-9H3
InChIKeyZZLZBGKBWZUGHV-UHFFFAOYSA-N
MW308.61 g/mol
LogP6.02
Rot. Bonds5

About tri(propan-2-yl)-[(5,5,6-trimethyl-5-silabicyclo[2.1.1]hexa-1(6),2-dien-2-yl)oxy]silane

tri(propan-2-yl)-[(5,5,6-trimethyl-5-silabicyclo[2.1.1]hexa-1(6),2-dien-2-yl)oxy]silane (PubChem CID 91267723) has the molecular formula C17H32OSi2 and a molecular weight of 308.61 g/mol. Its IUPAC name is tri(propan-2-yl)-[(5,5,6-trimethyl-5-silabicyclo[2.1.1]hexa-1(6),2-dien-2-yl)oxy]silane.

Molecular Properties

Compound Nametri(propan-2-yl)-[(5,5,6-trimethyl-5-silabicyclo[2.1.1]hexa-1(6),2-dien-2-yl)oxy]silane
PubChem CID91267723
Molecular FormulaC17H32OSi2
Molecular Weight308.61 g/mol
Exact Mass308.20
IUPAC Nametri(propan-2-yl)-[(5,5,6-trimethyl-5-silabicyclo[2.1.1]hexa-1(6),2-dien-2-yl)oxy]silane
SMILESCC1=C2C(O[Si](C(C)C)(C(C)C)C(C)C)=CC1[Si]2(C)C
InChIInChI=1S/C17H32OSi2/c1-11(2)20(12(3)4,13(5)6)18-15-10-16-14(7)17(15)19(16,8)9/h10-13,16H,1-9H3
InChIKeyZZLZBGKBWZUGHV-UHFFFAOYSA-N
XLogP6.02
TPSA9.23 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds5
Heavy Atoms20
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500308.61
LogP ≤ 56.02
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 101

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 tri(propan-2-yl)-[(5,5,6-trimethyl-5-silabicyclo[2.1.1]hexa-1(6),2-dien-2-yl)oxy]silane?
The IUPAC name of tri(propan-2-yl)-[(5,5,6-trimethyl-5-silabicyclo[2.1.1]hexa-1(6),2-dien-2-yl)oxy]silane (CID 91267723) is tri(propan-2-yl)-[(5,5,6-trimethyl-5-silabicyclo[2.1.1]hexa-1(6),2-dien-2-yl)oxy]silane.
What is the SMILES notation for tri(propan-2-yl)-[(5,5,6-trimethyl-5-silabicyclo[2.1.1]hexa-1(6),2-dien-2-yl)oxy]silane?
The canonical SMILES for tri(propan-2-yl)-[(5,5,6-trimethyl-5-silabicyclo[2.1.1]hexa-1(6),2-dien-2-yl)oxy]silane is CC1=C2C(O[Si](C(C)C)(C(C)C)C(C)C)=CC1[Si]2(C)C.
What is the InChIKey of tri(propan-2-yl)-[(5,5,6-trimethyl-5-silabicyclo[2.1.1]hexa-1(6),2-dien-2-yl)oxy]silane?
The InChIKey is ZZLZBGKBWZUGHV-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H32OSi2/c1-11(2)20(12(3)4,13(5)6)18-15-10-16-14(7)17(15)19(16,8)9/h10-13,16H,1-9H3.
What are the key properties of tri(propan-2-yl)-[(5,5,6-trimethyl-5-silabicyclo[2.1.1]hexa-1(6),2-dien-2-yl)oxy]silane?
tri(propan-2-yl)-[(5,5,6-trimethyl-5-silabicyclo[2.1.1]hexa-1(6),2-dien-2-yl)oxy]silane has a molecular weight of 308.61 g/mol, XLogP of 6.02, 5 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for tri(propan-2-yl)-[(5,5,6-trimethyl-5-silabicyclo[2.1.1]hexa-1(6),2-dien-2-yl)oxy]silane is sourced from PubChem (CID 91267723), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).