CID 19959791

C27H33Si3 — CID 19959791

IUPAC—
SMILESCc1cc(C)c([Si][Si]([Si]c2c(C)cc(C)cc2C)c2c(C)cc(C)cc2C)c(C)c1
InChIInChI=1S/C27H33Si3/c1-16-10-19(4)25(20(5)11-16)28-30(27-23(8)14-18(3)15-24(27)9)29-26-21(6)12-17(2)13-22(26)7/h10-15H,1-9H3
InChIKeyBTEHIXUZBMHURN-UHFFFAOYSA-N
MW441.82 g/mol
LogP4.22
Rot. Bonds5

About CID 19959791

CID 19959791 (PubChem CID 19959791) has the molecular formula C27H33Si3 and a molecular weight of 441.82 g/mol.

Molecular Properties

Compound NameCID 19959791
PubChem CID19959791
Molecular FormulaC27H33Si3
Molecular Weight441.82 g/mol
Exact Mass441.19
IUPAC Name—
SMILESCc1cc(C)c([Si][Si]([Si]c2c(C)cc(C)cc2C)c2c(C)cc(C)cc2C)c(C)c1
InChIInChI=1S/C27H33Si3/c1-16-10-19(4)25(20(5)11-16)28-30(27-23(8)14-18(3)15-24(27)9)29-26-21(6)12-17(2)13-22(26)7/h10-15H,1-9H3
InChIKeyBTEHIXUZBMHURN-UHFFFAOYSA-N
XLogP4.22
TPSA0.00 Ų
H-Bond Donors
H-Bond Acceptors
Rotatable Bonds5
Heavy Atoms30
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500441.82
LogP ≤ 54.22
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 100

Computed Properties (RDKit)

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

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Related Compounds

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Frequently Asked Questions

What is the IUPAC name of CID 19959791?
The IUPAC name of CID 19959791 (CID 19959791) is not available.
What is the SMILES notation for CID 19959791?
The canonical SMILES for CID 19959791 is Cc1cc(C)c([Si][Si]([Si]c2c(C)cc(C)cc2C)c2c(C)cc(C)cc2C)c(C)c1.
What is the InChIKey of CID 19959791?
The InChIKey is BTEHIXUZBMHURN-UHFFFAOYSA-N. The full InChI is InChI=1S/C27H33Si3/c1-16-10-19(4)25(20(5)11-16)28-30(27-23(8)14-18(3)15-24(27)9)29-26-21(6)12-17(2)13-22(26)7/h10-15H,1-9H3.
What are the key properties of CID 19959791?
CID 19959791 has a molecular weight of 441.82 g/mol, XLogP of 4.22, 5 rotatable bonds, 0 hydrogen bond donors, and 0 hydrogen bond acceptors.
Where does this data come from?
All data for CID 19959791 is sourced from PubChem (CID 19959791), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).