CID 153327029

C21H44O3Si4 — CID 153327029

IUPAC—
SMILESC=C[Si](C)(C)C(C)(C)[Si](CC)COC(=O)OC[Si](CC)C(C)(C)[Si](C)(C)C=C
InChIInChI=1S/C21H44O3Si4/c1-13-25(20(5,6)27(9,10)15-3)17-23-19(22)24-18-26(14-2)21(7,8)28(11,12)16-4/h15-16H,3-4,13-14,17-18H2,1-2,5-12H3
InChIKeyCXSARJQJYCQMKM-UHFFFAOYSA-N
MW456.92 g/mol
LogP6.75
Rot. Bonds12

About CID 153327029

CID 153327029 (PubChem CID 153327029) has the molecular formula C21H44O3Si4 and a molecular weight of 456.92 g/mol.

Molecular Properties

Compound NameCID 153327029
PubChem CID153327029
Molecular FormulaC21H44O3Si4
Molecular Weight456.92 g/mol
Exact Mass456.24
IUPAC Name—
SMILESC=C[Si](C)(C)C(C)(C)[Si](CC)COC(=O)OC[Si](CC)C(C)(C)[Si](C)(C)C=C
InChIInChI=1S/C21H44O3Si4/c1-13-25(20(5,6)27(9,10)15-3)17-23-19(22)24-18-26(14-2)21(7,8)28(11,12)16-4/h15-16H,3-4,13-14,17-18H2,1-2,5-12H3
InChIKeyCXSARJQJYCQMKM-UHFFFAOYSA-N
XLogP6.75
TPSA35.53 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds12
Heavy Atoms28
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500456.92
LogP ≤ 56.75
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 CID 153327029?
The IUPAC name of CID 153327029 (CID 153327029) is not available.
What is the SMILES notation for CID 153327029?
The canonical SMILES for CID 153327029 is C=C[Si](C)(C)C(C)(C)[Si](CC)COC(=O)OC[Si](CC)C(C)(C)[Si](C)(C)C=C.
What is the InChIKey of CID 153327029?
The InChIKey is CXSARJQJYCQMKM-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H44O3Si4/c1-13-25(20(5,6)27(9,10)15-3)17-23-19(22)24-18-26(14-2)21(7,8)28(11,12)16-4/h15-16H,3-4,13-14,17-18H2,1-2,5-12H3.
What are the key properties of CID 153327029?
CID 153327029 has a molecular weight of 456.92 g/mol, XLogP of 6.75, 12 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for CID 153327029 is sourced from PubChem (CID 153327029), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).