CID 135046589

C27H49NdSi2- — CID 135046589

IUPAC—
SMILESC[C]1C(C)=C(C)C(C)=C1C.C[C]1C(C)=C(C)C(C)=C1C.C[Si](C)(C)[CH-][Si](C)(C)C.[Nd]
InChIInChI=1S/2C10H15.C7H19Si2.Nd/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;
InChIKeyNPWOXJNWOFNKEH-UHFFFAOYSA-N
MW574.10 g/mol
LogP9.48
Rot. Bonds2

About CID 135046589

CID 135046589 (PubChem CID 135046589) has the molecular formula C27H49NdSi2- and a molecular weight of 574.10 g/mol.

Molecular Properties

Compound NameCID 135046589
PubChem CID135046589
Molecular FormulaC27H49NdSi2-
Molecular Weight574.10 g/mol
Exact Mass571.25
IUPAC Name—
SMILESC[C]1C(C)=C(C)C(C)=C1C.C[C]1C(C)=C(C)C(C)=C1C.C[Si](C)(C)[CH-][Si](C)(C)C.[Nd]
InChIInChI=1S/2C10H15.C7H19Si2.Nd/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;
InChIKeyNPWOXJNWOFNKEH-UHFFFAOYSA-N
XLogP9.48
TPSA0.00 Ų
H-Bond Donors
H-Bond Acceptors
Rotatable Bonds2
Heavy Atoms30
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500574.10
LogP ≤ 59.48
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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Frequently Asked Questions

What is the IUPAC name of CID 135046589?
The IUPAC name of CID 135046589 (CID 135046589) is not available.
What is the SMILES notation for CID 135046589?
The canonical SMILES for CID 135046589 is C[C]1C(C)=C(C)C(C)=C1C.C[C]1C(C)=C(C)C(C)=C1C.C[Si](C)(C)[CH-][Si](C)(C)C.[Nd].
What is the InChIKey of CID 135046589?
The InChIKey is NPWOXJNWOFNKEH-UHFFFAOYSA-N. The full InChI is InChI=1S/2C10H15.C7H19Si2.Nd/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 135046589?
CID 135046589 has a molecular weight of 574.10 g/mol, XLogP of 9.48, 2 rotatable bonds, 0 hydrogen bond donors, and 0 hydrogen bond acceptors.
Where does this data come from?
All data for CID 135046589 is sourced from PubChem (CID 135046589), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).