CID 57493424

C30H39Si — CID 57493424

IUPAC—
SMILESCCCCc1ccc([Si](c2ccc(CCCC)cc2)c2ccc(CCCC)cc2)cc1
InChIInChI=1S/C30H39Si/c1-4-7-10-25-13-19-28(20-14-25)31(29-21-15-26(16-22-29)11-8-5-2)30-23-17-27(18-24-30)12-9-6-3/h13-24H,4-12H2,1-3H3
InChIKeyUXDPAYNJIAGTRY-UHFFFAOYSA-N
MW427.73 g/mol
LogP6.23
Rot. Bonds12

About CID 57493424

CID 57493424 (PubChem CID 57493424) has the molecular formula C30H39Si and a molecular weight of 427.73 g/mol.

Molecular Properties

Compound NameCID 57493424
PubChem CID57493424
Molecular FormulaC30H39Si
Molecular Weight427.73 g/mol
Exact Mass427.28
IUPAC Name—
SMILESCCCCc1ccc([Si](c2ccc(CCCC)cc2)c2ccc(CCCC)cc2)cc1
InChIInChI=1S/C30H39Si/c1-4-7-10-25-13-19-28(20-14-25)31(29-21-15-26(16-22-29)11-8-5-2)30-23-17-27(18-24-30)12-9-6-3/h13-24H,4-12H2,1-3H3
InChIKeyUXDPAYNJIAGTRY-UHFFFAOYSA-N
XLogP6.23
TPSA0.00 Ų
H-Bond Donors
H-Bond Acceptors
Rotatable Bonds12
Heavy Atoms31
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500427.73
LogP ≤ 56.23
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 100

Computed Properties (RDKit)

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

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Related Compounds

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CID 57470906
CID 57470906
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1-iodo-4-octadecylbenzene
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Frequently Asked Questions

What is the IUPAC name of CID 57493424?
The IUPAC name of CID 57493424 (CID 57493424) is not available.
What is the SMILES notation for CID 57493424?
The canonical SMILES for CID 57493424 is CCCCc1ccc([Si](c2ccc(CCCC)cc2)c2ccc(CCCC)cc2)cc1.
What is the InChIKey of CID 57493424?
The InChIKey is UXDPAYNJIAGTRY-UHFFFAOYSA-N. The full InChI is InChI=1S/C30H39Si/c1-4-7-10-25-13-19-28(20-14-25)31(29-21-15-26(16-22-29)11-8-5-2)30-23-17-27(18-24-30)12-9-6-3/h13-24H,4-12H2,1-3H3.
What are the key properties of CID 57493424?
CID 57493424 has a molecular weight of 427.73 g/mol, XLogP of 6.23, 12 rotatable bonds, 0 hydrogen bond donors, and 0 hydrogen bond acceptors.
Where does this data come from?
All data for CID 57493424 is sourced from PubChem (CID 57493424), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).