CID 176589524

C30H40O4Si — CID 176589524

IUPAC—
SMILESCC(C)(C)[Si](O[C@@H]1CCC[C@]2(C1)OOC1(CC3CCC1CC3)O2)(c1ccccc1)c1ccccc1
InChIInChI=1S/C30H40O4Si/c1-28(2,3)35(26-12-6-4-7-13-26,27-14-8-5-9-15-27)31-25-11-10-20-29(22-25)32-30(34-33-29)21-23-16-18-24(30)19-17-23/h4-9,12-15,23-25H,10-11,16-22H2,1-3H3/t23?,24?,25-,29-,30?/m1/s1
InChIKeyZCOBVMUZMKQLFY-GQQWQPKHSA-N
MW492.73 g/mol
LogP6.09
Rot. Bonds4

About CID 176589524

CID 176589524 (PubChem CID 176589524) has the molecular formula C30H40O4Si and a molecular weight of 492.73 g/mol.

Molecular Properties

Compound NameCID 176589524
PubChem CID176589524
Molecular FormulaC30H40O4Si
Molecular Weight492.73 g/mol
Exact Mass492.27
IUPAC Name—
SMILESCC(C)(C)[Si](O[C@@H]1CCC[C@]2(C1)OOC1(CC3CCC1CC3)O2)(c1ccccc1)c1ccccc1
InChIInChI=1S/C30H40O4Si/c1-28(2,3)35(26-12-6-4-7-13-26,27-14-8-5-9-15-27)31-25-11-10-20-29(22-25)32-30(34-33-29)21-23-16-18-24(30)19-17-23/h4-9,12-15,23-25H,10-11,16-22H2,1-3H3/t23?,24?,25-,29-,30?/m1/s1
InChIKeyZCOBVMUZMKQLFY-GQQWQPKHSA-N
XLogP6.09
TPSA36.92 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms35
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500492.73
LogP ≤ 56.09
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

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

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Related Compounds

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Frequently Asked Questions

What is the IUPAC name of CID 176589524?
The IUPAC name of CID 176589524 (CID 176589524) is not available.
What is the SMILES notation for CID 176589524?
The canonical SMILES for CID 176589524 is CC(C)(C)[Si](O[C@@H]1CCC[C@]2(C1)OOC1(CC3CCC1CC3)O2)(c1ccccc1)c1ccccc1.
What is the InChIKey of CID 176589524?
The InChIKey is ZCOBVMUZMKQLFY-GQQWQPKHSA-N. The full InChI is InChI=1S/C30H40O4Si/c1-28(2,3)35(26-12-6-4-7-13-26,27-14-8-5-9-15-27)31-25-11-10-20-29(22-25)32-30(34-33-29)21-23-16-18-24(30)19-17-23/h4-9,12-15,23-25H,10-11,16-22H2,1-3H3/t23?,24?,25-,29-,30?/m1/s1.
What are the key properties of CID 176589524?
CID 176589524 has a molecular weight of 492.73 g/mol, XLogP of 6.09, 4 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for CID 176589524 is sourced from PubChem (CID 176589524), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).