CID 174954511

C15H21O2Si — CID 174954511

IUPAC—
SMILESCCCCC(CC)COc1ccccc1C(=O)[Si]
InChIInChI=1S/C15H21O2Si/c1-3-5-8-12(4-2)11-17-14-10-7-6-9-13(14)15(16)18/h6-7,9-10,12H,3-5,8,11H2,1-2H3
InChIKeyMUQITWSZGGTCGA-UHFFFAOYSA-N
MW261.42 g/mol
LogP3.59
Rot. Bonds8

About CID 174954511

CID 174954511 (PubChem CID 174954511) has the molecular formula C15H21O2Si and a molecular weight of 261.42 g/mol.

Molecular Properties

Compound NameCID 174954511
PubChem CID174954511
Molecular FormulaC15H21O2Si
Molecular Weight261.42 g/mol
Exact Mass261.13
IUPAC Name—
SMILESCCCCC(CC)COc1ccccc1C(=O)[Si]
InChIInChI=1S/C15H21O2Si/c1-3-5-8-12(4-2)11-17-14-10-7-6-9-13(14)15(16)18/h6-7,9-10,12H,3-5,8,11H2,1-2H3
InChIKeyMUQITWSZGGTCGA-UHFFFAOYSA-N
XLogP3.59
TPSA26.30 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds8
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500261.42
LogP ≤ 53.59
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

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Related Compounds

CID 174953188
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Frequently Asked Questions

What is the IUPAC name of CID 174954511?
The IUPAC name of CID 174954511 (CID 174954511) is not available.
What is the SMILES notation for CID 174954511?
The canonical SMILES for CID 174954511 is CCCCC(CC)COc1ccccc1C(=O)[Si].
What is the InChIKey of CID 174954511?
The InChIKey is MUQITWSZGGTCGA-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H21O2Si/c1-3-5-8-12(4-2)11-17-14-10-7-6-9-13(14)15(16)18/h6-7,9-10,12H,3-5,8,11H2,1-2H3.
What are the key properties of CID 174954511?
CID 174954511 has a molecular weight of 261.42 g/mol, XLogP of 3.59, 8 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for CID 174954511 is sourced from PubChem (CID 174954511), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).