CID 134902058

C32H66Cd2N2Si4-2 — CID 134902058

IUPAC—
SMILESC[C]1[C](C)[C](C)[C](C)[C]1C.C[C]1[C](C)[C](C)[C](C)[C]1C.C[Si](C)(C)[N-][Si](C)(C)C.C[Si](C)(C)[N-][Si](C)(C)C.[Cd].[Cd]
InChIInChI=1S/2C10H15.2C6H18NSi2.2Cd/c2*1-6-7(2)9(4)10(5)8(6)3;2*1-8(2,3)7-9(4,5)6;;/h2*1-5H3;2*1-6H3;;/q;;2*-1;;
InChIKeyKBWQEDPEOIAPNQ-UHFFFAOYSA-N
MW816.06 g/mol
LogP12.00
Rot. Bonds4

About CID 134902058

CID 134902058 (PubChem CID 134902058) has the molecular formula C32H66Cd2N2Si4-2 and a molecular weight of 816.06 g/mol.

Molecular Properties

Compound NameCID 134902058
PubChem CID134902058
Molecular FormulaC32H66Cd2N2Si4-2
Molecular Weight816.06 g/mol
Exact Mass818.24
IUPAC Name—
SMILESC[C]1[C](C)[C](C)[C](C)[C]1C.C[C]1[C](C)[C](C)[C](C)[C]1C.C[Si](C)(C)[N-][Si](C)(C)C.C[Si](C)(C)[N-][Si](C)(C)C.[Cd].[Cd]
InChIInChI=1S/2C10H15.2C6H18NSi2.2Cd/c2*1-6-7(2)9(4)10(5)8(6)3;2*1-8(2,3)7-9(4,5)6;;/h2*1-5H3;2*1-6H3;;/q;;2*-1;;
InChIKeyKBWQEDPEOIAPNQ-UHFFFAOYSA-N
XLogP12.00
TPSA28.20 Ų
H-Bond Donors
H-Bond Acceptors
Rotatable Bonds4
Heavy Atoms40
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500816.06
LogP ≤ 512.00
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 134902058?
The IUPAC name of CID 134902058 (CID 134902058) is not available.
What is the SMILES notation for CID 134902058?
The canonical SMILES for CID 134902058 is C[C]1[C](C)[C](C)[C](C)[C]1C.C[C]1[C](C)[C](C)[C](C)[C]1C.C[Si](C)(C)[N-][Si](C)(C)C.C[Si](C)(C)[N-][Si](C)(C)C.[Cd].[Cd].
What is the InChIKey of CID 134902058?
The InChIKey is KBWQEDPEOIAPNQ-UHFFFAOYSA-N. The full InChI is InChI=1S/2C10H15.2C6H18NSi2.2Cd/c2*1-6-7(2)9(4)10(5)8(6)3;2*1-8(2,3)7-9(4,5)6;;/h2*1-5H3;2*1-6H3;;/q;;2*-1;;.
What are the key properties of CID 134902058?
CID 134902058 has a molecular weight of 816.06 g/mol, XLogP of 12.00, 4 rotatable bonds, 0 hydrogen bond donors, and 0 hydrogen bond acceptors.
Where does this data come from?
All data for CID 134902058 is sourced from PubChem (CID 134902058), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).