CID 134880709

C26H52O4Si3 — CID 134880709

IUPAC—
SMILESCC[Si](CC)OC[C@H](C)[C@@H](O[Si](CC)CC)[C@@H](C)C#CC(=O)[C@@H](C)CO[Si](C)(C)C(C)(C)C
InChIInChI=1S/C26H52O4Si3/c1-13-31(14-2)28-19-23(7)25(30-32(15-3)16-4)21(5)17-18-24(27)22(6)20-29-33(11,12)26(8,9)10/h21-23,25H,13-16,19-20H2,1-12H3/t21-,22-,23-,25-/m0/s1
InChIKeySNMNMJOSRJLDGS-LCXINAFSSA-N
MW512.96 g/mol
LogP6.95
Rot. Bonds15

About CID 134880709

CID 134880709 (PubChem CID 134880709) has the molecular formula C26H52O4Si3 and a molecular weight of 512.96 g/mol.

Molecular Properties

Compound NameCID 134880709
PubChem CID134880709
Molecular FormulaC26H52O4Si3
Molecular Weight512.96 g/mol
Exact Mass512.32
IUPAC Name—
SMILESCC[Si](CC)OC[C@H](C)[C@@H](O[Si](CC)CC)[C@@H](C)C#CC(=O)[C@@H](C)CO[Si](C)(C)C(C)(C)C
InChIInChI=1S/C26H52O4Si3/c1-13-31(14-2)28-19-23(7)25(30-32(15-3)16-4)21(5)17-18-24(27)22(6)20-29-33(11,12)26(8,9)10/h21-23,25H,13-16,19-20H2,1-12H3/t21-,22-,23-,25-/m0/s1
InChIKeySNMNMJOSRJLDGS-LCXINAFSSA-N
XLogP6.95
TPSA44.76 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds15
Heavy Atoms33
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500512.96
LogP ≤ 56.95
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'heavy_metal', 'substructure': 'N/A'}, {'alert_name': 'Michael_acceptor_2', 'substructure': 'N/A'}, {'alert_name': 'triple_bond', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of CID 134880709?
The IUPAC name of CID 134880709 (CID 134880709) is not available.
What is the SMILES notation for CID 134880709?
The canonical SMILES for CID 134880709 is CC[Si](CC)OC[C@H](C)[C@@H](O[Si](CC)CC)[C@@H](C)C#CC(=O)[C@@H](C)CO[Si](C)(C)C(C)(C)C.
What is the InChIKey of CID 134880709?
The InChIKey is SNMNMJOSRJLDGS-LCXINAFSSA-N. The full InChI is InChI=1S/C26H52O4Si3/c1-13-31(14-2)28-19-23(7)25(30-32(15-3)16-4)21(5)17-18-24(27)22(6)20-29-33(11,12)26(8,9)10/h21-23,25H,13-16,19-20H2,1-12H3/t21-,22-,23-,25-/m0/s1.
What are the key properties of CID 134880709?
CID 134880709 has a molecular weight of 512.96 g/mol, XLogP of 6.95, 15 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for CID 134880709 is sourced from PubChem (CID 134880709), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).