CID 135046588

C27H49CeSi2- — CID 135046588

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)[CH-][Si](C)(C)C.[Ce]
InChIInChI=1S/2C10H15.C7H19Si2.Ce/c2*1-6-7(2)9(4)10(5)8(6)3;1-8(2,3)7-9(4,5)6;/h2*1-5H3;7H,1-6H3;/q;;-1;
InChIKeyYCUMNHWSGDWLSE-UHFFFAOYSA-N
MW569.98 g/mol
LogP8.89
Rot. Bonds2

About CID 135046588

CID 135046588 (PubChem CID 135046588) has the molecular formula C27H49CeSi2- and a molecular weight of 569.98 g/mol.

Molecular Properties

Compound NameCID 135046588
PubChem CID135046588
Molecular FormulaC27H49CeSi2-
Molecular Weight569.98 g/mol
Exact Mass569.24
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)[CH-][Si](C)(C)C.[Ce]
InChIInChI=1S/2C10H15.C7H19Si2.Ce/c2*1-6-7(2)9(4)10(5)8(6)3;1-8(2,3)7-9(4,5)6;/h2*1-5H3;7H,1-6H3;/q;;-1;
InChIKeyYCUMNHWSGDWLSE-UHFFFAOYSA-N
XLogP8.89
TPSA0.00 Ų
H-Bond Donors
H-Bond Acceptors
Rotatable Bonds2
Heavy Atoms30
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500569.98
LogP ≤ 58.89
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 100

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Carbo_cation/anion', 'substructure': 'N/A'}, {'alert_name': 'heavy_metal', 'substructure': 'N/A'}

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Related Compounds

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CID 134882043
CID 134902093
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CID 134902262
CID 134902262
CID 134902618
CID 134902618
CID 134927005
CID 134927005
CID 134991311
CID 134991311
CID 135046370
CID 135046370
CID 135046625
CID 135046625
CID 135046628
CID 135046628
CID 135046629
CID 135046629
CID 135046650
CID 135046650
CID 135046651
CID 135046651

Frequently Asked Questions

What is the IUPAC name of CID 135046588?
The IUPAC name of CID 135046588 (CID 135046588) is not available.
What is the SMILES notation for CID 135046588?
The canonical SMILES for CID 135046588 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)[CH-][Si](C)(C)C.[Ce].
What is the InChIKey of CID 135046588?
The InChIKey is YCUMNHWSGDWLSE-UHFFFAOYSA-N. The full InChI is InChI=1S/2C10H15.C7H19Si2.Ce/c2*1-6-7(2)9(4)10(5)8(6)3;1-8(2,3)7-9(4,5)6;/h2*1-5H3;7H,1-6H3;/q;;-1;.
What are the key properties of CID 135046588?
CID 135046588 has a molecular weight of 569.98 g/mol, XLogP of 8.89, 2 rotatable bonds, 0 hydrogen bond donors, and 0 hydrogen bond acceptors.
Where does this data come from?
All data for CID 135046588 is sourced from PubChem (CID 135046588), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).