CID 70115484

C19H23O2Si — CID 70115484

IUPAC—
SMILESC[Si](C)Oc1c(C(C)(C)C)ccc2c1Cc1ccccc1O2
InChIInChI=1S/C19H23O2Si/c1-19(2,3)15-10-11-17-14(18(15)21-22(4)5)12-13-8-6-7-9-16(13)20-17/h6-11H,12H2,1-5H3
InChIKeyVDCPWRQXMMHTHL-UHFFFAOYSA-N
MW311.48 g/mol
LogP5.31
Rot. Bonds2

About CID 70115484

CID 70115484 (PubChem CID 70115484) has the molecular formula C19H23O2Si and a molecular weight of 311.48 g/mol.

Molecular Properties

Compound NameCID 70115484
PubChem CID70115484
Molecular FormulaC19H23O2Si
Molecular Weight311.48 g/mol
Exact Mass311.15
IUPAC Name—
SMILESC[Si](C)Oc1c(C(C)(C)C)ccc2c1Cc1ccccc1O2
InChIInChI=1S/C19H23O2Si/c1-19(2,3)15-10-11-17-14(18(15)21-22(4)5)12-13-8-6-7-9-16(13)20-17/h6-11H,12H2,1-5H3
InChIKeyVDCPWRQXMMHTHL-UHFFFAOYSA-N
XLogP5.31
TPSA18.46 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms22
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500311.48
LogP ≤ 55.31
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of CID 70115484?
The IUPAC name of CID 70115484 (CID 70115484) is not available.
What is the SMILES notation for CID 70115484?
The canonical SMILES for CID 70115484 is C[Si](C)Oc1c(C(C)(C)C)ccc2c1Cc1ccccc1O2.
What is the InChIKey of CID 70115484?
The InChIKey is VDCPWRQXMMHTHL-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H23O2Si/c1-19(2,3)15-10-11-17-14(18(15)21-22(4)5)12-13-8-6-7-9-16(13)20-17/h6-11H,12H2,1-5H3.
What are the key properties of CID 70115484?
CID 70115484 has a molecular weight of 311.48 g/mol, XLogP of 5.31, 2 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for CID 70115484 is sourced from PubChem (CID 70115484), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).