CID 134991301

C27H49Si2Yb- — CID 134991301

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.[Yb]
InChIInChI=1S/2C10H15.C7H19Si2.Yb/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;
InChIKeyUXCPJDVSFNHRPR-UHFFFAOYSA-N
MW602.90 g/mol
LogP9.48
Rot. Bonds2

About CID 134991301

CID 134991301 (PubChem CID 134991301) has the molecular formula C27H49Si2Yb- and a molecular weight of 602.90 g/mol.

Molecular Properties

Compound NameCID 134991301
PubChem CID134991301
Molecular FormulaC27H49Si2Yb-
Molecular Weight602.90 g/mol
Exact Mass603.28
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.[Yb]
InChIInChI=1S/2C10H15.C7H19Si2.Yb/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;
InChIKeyUXCPJDVSFNHRPR-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 ≤ 500602.90
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'}

Analyze CID 134991301 with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Frequently Asked Questions

What is the IUPAC name of CID 134991301?
The IUPAC name of CID 134991301 (CID 134991301) is not available.
What is the SMILES notation for CID 134991301?
The canonical SMILES for CID 134991301 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.[Yb].
What is the InChIKey of CID 134991301?
The InChIKey is UXCPJDVSFNHRPR-UHFFFAOYSA-N. The full InChI is InChI=1S/2C10H15.C7H19Si2.Yb/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 134991301?
CID 134991301 has a molecular weight of 602.90 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 134991301 is sourced from PubChem (CID 134991301), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).