CID 134883016

C35H47O3Si3 — CID 134883016

IUPAC—
SMILESC=CC(C#C[Si])O[C@]1(C#C[Si](C)(C)C(C)(C)C)OCC(C)(C)[C@H]1O[Si](c1ccccc1)(c1ccccc1)C(C)(C)C
InChIInChI=1S/C35H47O3Si3/c1-12-28(23-25-39)37-35(24-26-40(10,11)32(2,3)4)31(34(8,9)27-36-35)38-41(33(5,6)7,29-19-15-13-16-20-29)30-21-17-14-18-22-30/h12-22,28,31H,1,27H2,2-11H3/t28?,31-,35+/m1/s1
InChIKeyWBWHMLIJFSMFHM-BGDFGIIBSA-N
MW600.02 g/mol
LogP6.44
Rot. Bonds7

About CID 134883016

CID 134883016 (PubChem CID 134883016) has the molecular formula C35H47O3Si3 and a molecular weight of 600.02 g/mol.

Molecular Properties

Compound NameCID 134883016
PubChem CID134883016
Molecular FormulaC35H47O3Si3
Molecular Weight600.02 g/mol
Exact Mass599.28
IUPAC Name—
SMILESC=CC(C#C[Si])O[C@]1(C#C[Si](C)(C)C(C)(C)C)OCC(C)(C)[C@H]1O[Si](c1ccccc1)(c1ccccc1)C(C)(C)C
InChIInChI=1S/C35H47O3Si3/c1-12-28(23-25-39)37-35(24-26-40(10,11)32(2,3)4)31(34(8,9)27-36-35)38-41(33(5,6)7,29-19-15-13-16-20-29)30-21-17-14-18-22-30/h12-22,28,31H,1,27H2,2-11H3/t28?,31-,35+/m1/s1
InChIKeyWBWHMLIJFSMFHM-BGDFGIIBSA-N
XLogP6.44
TPSA27.69 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds7
Heavy Atoms41
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500600.02
LogP ≤ 56.44
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of CID 134883016?
The IUPAC name of CID 134883016 (CID 134883016) is not available.
What is the SMILES notation for CID 134883016?
The canonical SMILES for CID 134883016 is C=CC(C#C[Si])O[C@]1(C#C[Si](C)(C)C(C)(C)C)OCC(C)(C)[C@H]1O[Si](c1ccccc1)(c1ccccc1)C(C)(C)C.
What is the InChIKey of CID 134883016?
The InChIKey is WBWHMLIJFSMFHM-BGDFGIIBSA-N. The full InChI is InChI=1S/C35H47O3Si3/c1-12-28(23-25-39)37-35(24-26-40(10,11)32(2,3)4)31(34(8,9)27-36-35)38-41(33(5,6)7,29-19-15-13-16-20-29)30-21-17-14-18-22-30/h12-22,28,31H,1,27H2,2-11H3/t28?,31-,35+/m1/s1.
What are the key properties of CID 134883016?
CID 134883016 has a molecular weight of 600.02 g/mol, XLogP of 6.44, 7 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for CID 134883016 is sourced from PubChem (CID 134883016), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).