CID 173228583

C38H58O3Si2 — CID 173228583

IUPAC—
SMILESCCC(O)(C=CC=C(C)c1cccc(C=Cc2ccc(C(O[Si](C)C)C(C)(C)C)c(C(O[Si](C)C)C(C)(C)C)c2)c1)CC
InChIInChI=1S/C38H58O3Si2/c1-14-38(39,15-2)25-17-18-28(3)31-20-16-19-29(26-31)21-22-30-23-24-32(34(36(4,5)6)40-42(10)11)33(27-30)35(37(7,8)9)41-43(12)13/h16-27,34-35,39H,14-15H2,1-13H3
InChIKeyWNZQILVMUYOUJY-UHFFFAOYSA-N
MW619.05 g/mol
LogP11.08
Rot. Bonds13

About CID 173228583

CID 173228583 (PubChem CID 173228583) has the molecular formula C38H58O3Si2 and a molecular weight of 619.05 g/mol.

Molecular Properties

Compound NameCID 173228583
PubChem CID173228583
Molecular FormulaC38H58O3Si2
Molecular Weight619.05 g/mol
Exact Mass618.39
IUPAC Name—
SMILESCCC(O)(C=CC=C(C)c1cccc(C=Cc2ccc(C(O[Si](C)C)C(C)(C)C)c(C(O[Si](C)C)C(C)(C)C)c2)c1)CC
InChIInChI=1S/C38H58O3Si2/c1-14-38(39,15-2)25-17-18-28(3)31-20-16-19-29(26-31)21-22-30-23-24-32(34(36(4,5)6)40-42(10)11)33(27-30)35(37(7,8)9)41-43(12)13/h16-27,34-35,39H,14-15H2,1-13H3
InChIKeyWNZQILVMUYOUJY-UHFFFAOYSA-N
XLogP11.08
TPSA38.69 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds13
Heavy Atoms43
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500619.05
LogP ≤ 511.08
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of CID 173228583?
The IUPAC name of CID 173228583 (CID 173228583) is not available.
What is the SMILES notation for CID 173228583?
The canonical SMILES for CID 173228583 is CCC(O)(C=CC=C(C)c1cccc(C=Cc2ccc(C(O[Si](C)C)C(C)(C)C)c(C(O[Si](C)C)C(C)(C)C)c2)c1)CC.
What is the InChIKey of CID 173228583?
The InChIKey is WNZQILVMUYOUJY-UHFFFAOYSA-N. The full InChI is InChI=1S/C38H58O3Si2/c1-14-38(39,15-2)25-17-18-28(3)31-20-16-19-29(26-31)21-22-30-23-24-32(34(36(4,5)6)40-42(10)11)33(27-30)35(37(7,8)9)41-43(12)13/h16-27,34-35,39H,14-15H2,1-13H3.
What are the key properties of CID 173228583?
CID 173228583 has a molecular weight of 619.05 g/mol, XLogP of 11.08, 13 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for CID 173228583 is sourced from PubChem (CID 173228583), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).