CID 175761117

C30H36LiSi — CID 175761117

IUPAC—
SMILESCCCCC1=CC([Si](C)(C)C2C(C)=Cc3c2cc2c(c3-c3ccccc3)CCC2)C=C1.[Li]
InChIInChI=1S/C30H36Si.Li/c1-5-6-11-22-16-17-25(19-22)31(3,4)30-21(2)18-27-28(30)20-24-14-10-15-26(24)29(27)23-12-8-7-9-13-23;/h7-9,12-13,16-20,25,30H,5-6,10-11,14-15H2,1-4H3;
InChIKeyOHHCNRQEMOROKE-UHFFFAOYSA-N
MW431.65 g/mol
LogP8.27
Rot. Bonds6

About CID 175761117

CID 175761117 (PubChem CID 175761117) has the molecular formula C30H36LiSi and a molecular weight of 431.65 g/mol.

Molecular Properties

Compound NameCID 175761117
PubChem CID175761117
Molecular FormulaC30H36LiSi
Molecular Weight431.65 g/mol
Exact Mass431.27
IUPAC Name—
SMILESCCCCC1=CC([Si](C)(C)C2C(C)=Cc3c2cc2c(c3-c3ccccc3)CCC2)C=C1.[Li]
InChIInChI=1S/C30H36Si.Li/c1-5-6-11-22-16-17-25(19-22)31(3,4)30-21(2)18-27-28(30)20-24-14-10-15-26(24)29(27)23-12-8-7-9-13-23;/h7-9,12-13,16-20,25,30H,5-6,10-11,14-15H2,1-4H3;
InChIKeyOHHCNRQEMOROKE-UHFFFAOYSA-N
XLogP8.27
TPSA0.00 Ų
H-Bond Donors
H-Bond Acceptors
Rotatable Bonds6
Heavy Atoms32
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500431.65
LogP ≤ 58.27
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 175761117?
The IUPAC name of CID 175761117 (CID 175761117) is not available.
What is the SMILES notation for CID 175761117?
The canonical SMILES for CID 175761117 is CCCCC1=CC([Si](C)(C)C2C(C)=Cc3c2cc2c(c3-c3ccccc3)CCC2)C=C1.[Li].
What is the InChIKey of CID 175761117?
The InChIKey is OHHCNRQEMOROKE-UHFFFAOYSA-N. The full InChI is InChI=1S/C30H36Si.Li/c1-5-6-11-22-16-17-25(19-22)31(3,4)30-21(2)18-27-28(30)20-24-14-10-15-26(24)29(27)23-12-8-7-9-13-23;/h7-9,12-13,16-20,25,30H,5-6,10-11,14-15H2,1-4H3;.
What are the key properties of CID 175761117?
CID 175761117 has a molecular weight of 431.65 g/mol, XLogP of 8.27, 6 rotatable bonds, 0 hydrogen bond donors, and 0 hydrogen bond acceptors.
Where does this data come from?
All data for CID 175761117 is sourced from PubChem (CID 175761117), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).