2,2,4,4,6,6,8,8-octa(propan-2-yl)-1,3,5,7,2,4,6,8-tetraoxatetrasilocane

C24H56O4Si4 — CID 23084998

IUPAC2,2,4,4,6,6,8,8-octa(propan-2-yl)-1,3,5,7,2,4,6,8-tetraoxatetrasilocane
SMILESCC(C)[Si]1(C(C)C)O[Si](C(C)C)(C(C)C)O[Si](C(C)C)(C(C)C)O[Si](C(C)C)(C(C)C)O1
InChIInChI=1S/C24H56O4Si4/c1-17(2)29(18(3)4)25-30(19(5)6,20(7)8)27-32(23(13)14,24(15)16)28-31(26-29,21(9)10)22(11)12/h17-24H,1-16H3
InChIKeyVXYNLSQVEGUXLE-UHFFFAOYSA-N
MW521.05 g/mol
LogP9.12
Rot. Bonds8

About 2,2,4,4,6,6,8,8-octa(propan-2-yl)-1,3,5,7,2,4,6,8-tetraoxatetrasilocane

2,2,4,4,6,6,8,8-octa(propan-2-yl)-1,3,5,7,2,4,6,8-tetraoxatetrasilocane (PubChem CID 23084998) has the molecular formula C24H56O4Si4 and a molecular weight of 521.05 g/mol. Its IUPAC name is 2,2,4,4,6,6,8,8-octa(propan-2-yl)-1,3,5,7,2,4,6,8-tetraoxatetrasilocane.

Molecular Properties

Compound Name2,2,4,4,6,6,8,8-octa(propan-2-yl)-1,3,5,7,2,4,6,8-tetraoxatetrasilocane
PubChem CID23084998
Molecular FormulaC24H56O4Si4
Molecular Weight521.05 g/mol
Exact Mass520.33
IUPAC Name2,2,4,4,6,6,8,8-octa(propan-2-yl)-1,3,5,7,2,4,6,8-tetraoxatetrasilocane
SMILESCC(C)[Si]1(C(C)C)O[Si](C(C)C)(C(C)C)O[Si](C(C)C)(C(C)C)O[Si](C(C)C)(C(C)C)O1
InChIInChI=1S/C24H56O4Si4/c1-17(2)29(18(3)4)25-30(19(5)6,20(7)8)27-32(23(13)14,24(15)16)28-31(26-29,21(9)10)22(11)12/h17-24H,1-16H3
InChIKeyVXYNLSQVEGUXLE-UHFFFAOYSA-N
XLogP9.12
TPSA36.92 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds8
Heavy Atoms32
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500521.05
LogP ≤ 59.12
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 2,2,4,4,6,6,8,8-octa(propan-2-yl)-1,3,5,7,2,4,6,8-tetraoxatetrasilocane?
The IUPAC name of 2,2,4,4,6,6,8,8-octa(propan-2-yl)-1,3,5,7,2,4,6,8-tetraoxatetrasilocane (CID 23084998) is 2,2,4,4,6,6,8,8-octa(propan-2-yl)-1,3,5,7,2,4,6,8-tetraoxatetrasilocane.
What is the SMILES notation for 2,2,4,4,6,6,8,8-octa(propan-2-yl)-1,3,5,7,2,4,6,8-tetraoxatetrasilocane?
The canonical SMILES for 2,2,4,4,6,6,8,8-octa(propan-2-yl)-1,3,5,7,2,4,6,8-tetraoxatetrasilocane is CC(C)[Si]1(C(C)C)O[Si](C(C)C)(C(C)C)O[Si](C(C)C)(C(C)C)O[Si](C(C)C)(C(C)C)O1.
What is the InChIKey of 2,2,4,4,6,6,8,8-octa(propan-2-yl)-1,3,5,7,2,4,6,8-tetraoxatetrasilocane?
The InChIKey is VXYNLSQVEGUXLE-UHFFFAOYSA-N. The full InChI is InChI=1S/C24H56O4Si4/c1-17(2)29(18(3)4)25-30(19(5)6,20(7)8)27-32(23(13)14,24(15)16)28-31(26-29,21(9)10)22(11)12/h17-24H,1-16H3.
What are the key properties of 2,2,4,4,6,6,8,8-octa(propan-2-yl)-1,3,5,7,2,4,6,8-tetraoxatetrasilocane?
2,2,4,4,6,6,8,8-octa(propan-2-yl)-1,3,5,7,2,4,6,8-tetraoxatetrasilocane has a molecular weight of 521.05 g/mol, XLogP of 9.12, 8 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2,2,4,4,6,6,8,8-octa(propan-2-yl)-1,3,5,7,2,4,6,8-tetraoxatetrasilocane is sourced from PubChem (CID 23084998), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).