CID 78070001

C18H54Si8Zn — CID 78070001

IUPAC—
SMILESC[Si](C)(C)[Si]([Si](C)(C)C)[Si](C)(C)C.C[Si](C)(C)[Si]([Si](C)(C)C)[Si](C)(C)C.[Zn]
InChIInChI=1S/2C9H27Si4.Zn/c2*1-11(2,3)10(12(4,5)6)13(7,8)9;/h2*1-9H3;
InChIKeyJOPVAAWEWWZZDK-UHFFFAOYSA-N
MW560.71 g/mol
LogP7.46
Rot. Bonds6

About CID 78070001

CID 78070001 (PubChem CID 78070001) has the molecular formula C18H54Si8Zn and a molecular weight of 560.71 g/mol.

Molecular Properties

Compound NameCID 78070001
PubChem CID78070001
Molecular FormulaC18H54Si8Zn
Molecular Weight560.71 g/mol
Exact Mass558.17
IUPAC Name—
SMILESC[Si](C)(C)[Si]([Si](C)(C)C)[Si](C)(C)C.C[Si](C)(C)[Si]([Si](C)(C)C)[Si](C)(C)C.[Zn]
InChIInChI=1S/2C9H27Si4.Zn/c2*1-11(2,3)10(12(4,5)6)13(7,8)9;/h2*1-9H3;
InChIKeyJOPVAAWEWWZZDK-UHFFFAOYSA-N
XLogP7.46
TPSA0.00 Ų
H-Bond Donors
H-Bond Acceptors
Rotatable Bonds6
Heavy Atoms27
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500560.71
LogP ≤ 57.46
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 78070001?
The IUPAC name of CID 78070001 (CID 78070001) is not available.
What is the SMILES notation for CID 78070001?
The canonical SMILES for CID 78070001 is C[Si](C)(C)[Si]([Si](C)(C)C)[Si](C)(C)C.C[Si](C)(C)[Si]([Si](C)(C)C)[Si](C)(C)C.[Zn].
What is the InChIKey of CID 78070001?
The InChIKey is JOPVAAWEWWZZDK-UHFFFAOYSA-N. The full InChI is InChI=1S/2C9H27Si4.Zn/c2*1-11(2,3)10(12(4,5)6)13(7,8)9;/h2*1-9H3;.
What are the key properties of CID 78070001?
CID 78070001 has a molecular weight of 560.71 g/mol, XLogP of 7.46, 6 rotatable bonds, 0 hydrogen bond donors, and 0 hydrogen bond acceptors.
Where does this data come from?
All data for CID 78070001 is sourced from PubChem (CID 78070001), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).