CID 69430485

C13H19O2Si — CID 69430485

IUPAC—
SMILESCCO[Si](OCC)C(C)=Cc1ccccc1
InChIInChI=1S/C13H19O2Si/c1-4-14-16(15-5-2)12(3)11-13-9-7-6-8-10-13/h6-11H,4-5H2,1-3H3
InChIKeyPHRIAQQRUCDGTI-UHFFFAOYSA-N
MW235.38 g/mol
LogP3.19
Rot. Bonds6

About CID 69430485

CID 69430485 (PubChem CID 69430485) has the molecular formula C13H19O2Si and a molecular weight of 235.38 g/mol.

Molecular Properties

Compound NameCID 69430485
PubChem CID69430485
Molecular FormulaC13H19O2Si
Molecular Weight235.38 g/mol
Exact Mass235.12
IUPAC Name—
SMILESCCO[Si](OCC)C(C)=Cc1ccccc1
InChIInChI=1S/C13H19O2Si/c1-4-14-16(15-5-2)12(3)11-13-9-7-6-8-10-13/h6-11H,4-5H2,1-3H3
InChIKeyPHRIAQQRUCDGTI-UHFFFAOYSA-N
XLogP3.19
TPSA18.46 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds6
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500235.38
LogP ≤ 53.19
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

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CID 101392631
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CID 10910824
[(E)-2-bromobut-1-enyl]benzene
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ethyl (E)-2-benzoyl-3-phenylprop-2-enoate
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ethyl (E)-4-hydroxy-5-methyl-6-phenyl-4-[(E)-1-phenylprop-1-en-2-yl]hex-5-en-2-ynoate
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Frequently Asked Questions

What is the IUPAC name of CID 69430485?
The IUPAC name of CID 69430485 (CID 69430485) is not available.
What is the SMILES notation for CID 69430485?
The canonical SMILES for CID 69430485 is CCO[Si](OCC)C(C)=Cc1ccccc1.
What is the InChIKey of CID 69430485?
The InChIKey is PHRIAQQRUCDGTI-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H19O2Si/c1-4-14-16(15-5-2)12(3)11-13-9-7-6-8-10-13/h6-11H,4-5H2,1-3H3.
What are the key properties of CID 69430485?
CID 69430485 has a molecular weight of 235.38 g/mol, XLogP of 3.19, 6 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for CID 69430485 is sourced from PubChem (CID 69430485), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).