CID 21465811

C26H46Si3 — CID 21465811

IUPAC—
SMILESCC1=C(C(C)(C)C)CC([Si]C2=C([Si](C)(C)C)C(C)=C(C(C)(C)C)C2)=C1[Si](C)(C)C
InChIInChI=1S/C26H46Si3/c1-17-19(25(3,4)5)15-21(23(17)28(9,10)11)27-22-16-20(26(6,7)8)18(2)24(22)29(12,13)14/h15-16H2,1-14H3
InChIKeyADBDXBJWDFQHBP-UHFFFAOYSA-N
MW442.91 g/mol
LogP8.49
Rot. Bonds4

About CID 21465811

CID 21465811 (PubChem CID 21465811) has the molecular formula C26H46Si3 and a molecular weight of 442.91 g/mol.

Molecular Properties

Compound NameCID 21465811
PubChem CID21465811
Molecular FormulaC26H46Si3
Molecular Weight442.91 g/mol
Exact Mass442.29
IUPAC Name—
SMILESCC1=C(C(C)(C)C)CC([Si]C2=C([Si](C)(C)C)C(C)=C(C(C)(C)C)C2)=C1[Si](C)(C)C
InChIInChI=1S/C26H46Si3/c1-17-19(25(3,4)5)15-21(23(17)28(9,10)11)27-22-16-20(26(6,7)8)18(2)24(22)29(12,13)14/h15-16H2,1-14H3
InChIKeyADBDXBJWDFQHBP-UHFFFAOYSA-N
XLogP8.49
TPSA0.00 Ų
H-Bond Donors
H-Bond Acceptors
Rotatable Bonds4
Heavy Atoms29
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500442.91
LogP ≤ 58.49
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 CID 21465811?
The IUPAC name of CID 21465811 (CID 21465811) is not available.
What is the SMILES notation for CID 21465811?
The canonical SMILES for CID 21465811 is CC1=C(C(C)(C)C)CC([Si]C2=C([Si](C)(C)C)C(C)=C(C(C)(C)C)C2)=C1[Si](C)(C)C.
What is the InChIKey of CID 21465811?
The InChIKey is ADBDXBJWDFQHBP-UHFFFAOYSA-N. The full InChI is InChI=1S/C26H46Si3/c1-17-19(25(3,4)5)15-21(23(17)28(9,10)11)27-22-16-20(26(6,7)8)18(2)24(22)29(12,13)14/h15-16H2,1-14H3.
What are the key properties of CID 21465811?
CID 21465811 has a molecular weight of 442.91 g/mol, XLogP of 8.49, 4 rotatable bonds, 0 hydrogen bond donors, and 0 hydrogen bond acceptors.
Where does this data come from?
All data for CID 21465811 is sourced from PubChem (CID 21465811), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).