CID 59968219

C30H62Si4 — CID 59968219

IUPAC—
SMILESC=C(C)C=CCCC[Si]C[Si](C)(C)C[Si]C[Si](C)(CCCCCCCC)CCCCCCCC
InChIInChI=1S/C30H62Si4/c1-8-10-12-14-16-21-25-34(7,26-22-17-15-13-11-9-2)29-32-28-33(5,6)27-31-24-20-18-19-23-30(3)4/h19,23H,3,8-18,20-22,24-29H2,1-2,4-7H3
InChIKeyPZYVPESNOIQJLJ-UHFFFAOYSA-N
MW535.17 g/mol
LogP11.11
Rot. Bonds25

About CID 59968219

CID 59968219 (PubChem CID 59968219) has the molecular formula C30H62Si4 and a molecular weight of 535.17 g/mol.

Molecular Properties

Compound NameCID 59968219
PubChem CID59968219
Molecular FormulaC30H62Si4
Molecular Weight535.17 g/mol
Exact Mass534.39
IUPAC Name—
SMILESC=C(C)C=CCCC[Si]C[Si](C)(C)C[Si]C[Si](C)(CCCCCCCC)CCCCCCCC
InChIInChI=1S/C30H62Si4/c1-8-10-12-14-16-21-25-34(7,26-22-17-15-13-11-9-2)29-32-28-33(5,6)27-31-24-20-18-19-23-30(3)4/h19,23H,3,8-18,20-22,24-29H2,1-2,4-7H3
InChIKeyPZYVPESNOIQJLJ-UHFFFAOYSA-N
XLogP11.11
TPSA0.00 Ų
H-Bond Donors
H-Bond Acceptors
Rotatable Bonds25
Heavy Atoms34
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500535.17
LogP ≤ 511.11
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 100

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}, {'alert_name': 'heavy_metal', 'substructure': 'N/A'}, {'alert_name': 'polyene', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of CID 59968219?
The IUPAC name of CID 59968219 (CID 59968219) is not available.
What is the SMILES notation for CID 59968219?
The canonical SMILES for CID 59968219 is C=C(C)C=CCCC[Si]C[Si](C)(C)C[Si]C[Si](C)(CCCCCCCC)CCCCCCCC.
What is the InChIKey of CID 59968219?
The InChIKey is PZYVPESNOIQJLJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C30H62Si4/c1-8-10-12-14-16-21-25-34(7,26-22-17-15-13-11-9-2)29-32-28-33(5,6)27-31-24-20-18-19-23-30(3)4/h19,23H,3,8-18,20-22,24-29H2,1-2,4-7H3.
What are the key properties of CID 59968219?
CID 59968219 has a molecular weight of 535.17 g/mol, XLogP of 11.11, 25 rotatable bonds, 0 hydrogen bond donors, and 0 hydrogen bond acceptors.
Where does this data come from?
All data for CID 59968219 is sourced from PubChem (CID 59968219), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).