tris[tri(propan-2-yl)silyl]arsane

C27H63AsSi3 — CID 101116387

IUPACtris[tri(propan-2-yl)silyl]arsane
SMILESCC(C)[Si](C(C)C)(C(C)C)[As]([Si](C(C)C)(C(C)C)C(C)C)[Si](C(C)C)(C(C)C)C(C)C
InChIInChI=1S/C27H63AsSi3/c1-19(2)29(20(3)4,21(5)6)28(30(22(7)8,23(9)10)24(11)12)31(25(13)14,26(15)16)27(17)18/h19-27H,1-18H3
InChIKeyIMXJRJTZAHTGCD-UHFFFAOYSA-N
MW546.98 g/mol
LogP10.75
Rot. Bonds12

About tris[tri(propan-2-yl)silyl]arsane

tris[tri(propan-2-yl)silyl]arsane (PubChem CID 101116387) has the molecular formula C27H63AsSi3 and a molecular weight of 546.98 g/mol. Its IUPAC name is tris[tri(propan-2-yl)silyl]arsane.

Molecular Properties

Compound Nametris[tri(propan-2-yl)silyl]arsane
PubChem CID101116387
Molecular FormulaC27H63AsSi3
Molecular Weight546.98 g/mol
Exact Mass546.35
IUPAC Nametris[tri(propan-2-yl)silyl]arsane
SMILESCC(C)[Si](C(C)C)(C(C)C)[As]([Si](C(C)C)(C(C)C)C(C)C)[Si](C(C)C)(C(C)C)C(C)C
InChIInChI=1S/C27H63AsSi3/c1-19(2)29(20(3)4,21(5)6)28(30(22(7)8,23(9)10)24(11)12)31(25(13)14,26(15)16)27(17)18/h19-27H,1-18H3
InChIKeyIMXJRJTZAHTGCD-UHFFFAOYSA-N
XLogP10.75
TPSA0.00 Ų
H-Bond Donors
H-Bond Acceptors
Rotatable Bonds12
Heavy Atoms31
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500546.98
LogP ≤ 510.75
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 100

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 tris[tri(propan-2-yl)silyl]arsane?
The IUPAC name of tris[tri(propan-2-yl)silyl]arsane (CID 101116387) is tris[tri(propan-2-yl)silyl]arsane.
What is the SMILES notation for tris[tri(propan-2-yl)silyl]arsane?
The canonical SMILES for tris[tri(propan-2-yl)silyl]arsane is CC(C)[Si](C(C)C)(C(C)C)[As]([Si](C(C)C)(C(C)C)C(C)C)[Si](C(C)C)(C(C)C)C(C)C.
What is the InChIKey of tris[tri(propan-2-yl)silyl]arsane?
The InChIKey is IMXJRJTZAHTGCD-UHFFFAOYSA-N. The full InChI is InChI=1S/C27H63AsSi3/c1-19(2)29(20(3)4,21(5)6)28(30(22(7)8,23(9)10)24(11)12)31(25(13)14,26(15)16)27(17)18/h19-27H,1-18H3.
What are the key properties of tris[tri(propan-2-yl)silyl]arsane?
tris[tri(propan-2-yl)silyl]arsane has a molecular weight of 546.98 g/mol, XLogP of 10.75, 12 rotatable bonds, 0 hydrogen bond donors, and 0 hydrogen bond acceptors.
Where does this data come from?
All data for tris[tri(propan-2-yl)silyl]arsane is sourced from PubChem (CID 101116387), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).