CID 140853130

C28H37Cl2Si3 — CID 140853130

IUPAC—
SMILESC[Si](C)CCC1=Cc2ccccc2C1(Cl)[Si](C)(C)C1(Cl)C(C[Si](C)(C)C)=Cc2ccccc21
InChIInChI=1S/C28H37Cl2Si3/c1-31(2)17-16-23-18-21-12-8-10-14-25(21)27(23,29)33(6,7)28(30)24(20-32(3,4)5)19-22-13-9-11-15-26(22)28/h8-15,18-19H,16-17,20H2,1-7H3
InChIKeyAZOFGPRDRDYZCK-UHFFFAOYSA-N
MW528.77 g/mol
LogP9.32
Rot. Bonds7

About CID 140853130

CID 140853130 (PubChem CID 140853130) has the molecular formula C28H37Cl2Si3 and a molecular weight of 528.77 g/mol.

Molecular Properties

Compound NameCID 140853130
PubChem CID140853130
Molecular FormulaC28H37Cl2Si3
Molecular Weight528.77 g/mol
Exact Mass527.16
IUPAC Name—
SMILESC[Si](C)CCC1=Cc2ccccc2C1(Cl)[Si](C)(C)C1(Cl)C(C[Si](C)(C)C)=Cc2ccccc21
InChIInChI=1S/C28H37Cl2Si3/c1-31(2)17-16-23-18-21-12-8-10-14-25(21)27(23,29)33(6,7)28(30)24(20-32(3,4)5)19-22-13-9-11-15-26(22)28/h8-15,18-19H,16-17,20H2,1-7H3
InChIKeyAZOFGPRDRDYZCK-UHFFFAOYSA-N
XLogP9.32
TPSA0.00 Ų
H-Bond Donors
H-Bond Acceptors
Rotatable Bonds7
Heavy Atoms33
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500528.77
LogP ≤ 59.32
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 100

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of CID 140853130?
The IUPAC name of CID 140853130 (CID 140853130) is not available.
What is the SMILES notation for CID 140853130?
The canonical SMILES for CID 140853130 is C[Si](C)CCC1=Cc2ccccc2C1(Cl)[Si](C)(C)C1(Cl)C(C[Si](C)(C)C)=Cc2ccccc21.
What is the InChIKey of CID 140853130?
The InChIKey is AZOFGPRDRDYZCK-UHFFFAOYSA-N. The full InChI is InChI=1S/C28H37Cl2Si3/c1-31(2)17-16-23-18-21-12-8-10-14-25(21)27(23,29)33(6,7)28(30)24(20-32(3,4)5)19-22-13-9-11-15-26(22)28/h8-15,18-19H,16-17,20H2,1-7H3.
What are the key properties of CID 140853130?
CID 140853130 has a molecular weight of 528.77 g/mol, XLogP of 9.32, 7 rotatable bonds, 0 hydrogen bond donors, and 0 hydrogen bond acceptors.
Where does this data come from?
All data for CID 140853130 is sourced from PubChem (CID 140853130), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).