CID 134882955

C13H19O2Si — CID 134882955

IUPAC—
SMILESC=C(OCC)[C@@H](O[Si](C)C)c1ccccc1
InChIInChI=1S/C13H19O2Si/c1-5-14-11(2)13(15-16(3)4)12-9-7-6-8-10-12/h6-10,13H,2,5H2,1,3-4H3/t13-/m1/s1
InChIKeyWGVQVWKZNHIFGJ-CYBMUJFWSA-N
MW235.38 g/mol
LogP3.55
Rot. Bonds6

About CID 134882955

CID 134882955 (PubChem CID 134882955) has the molecular formula C13H19O2Si and a molecular weight of 235.38 g/mol.

Molecular Properties

Compound NameCID 134882955
PubChem CID134882955
Molecular FormulaC13H19O2Si
Molecular Weight235.38 g/mol
Exact Mass235.12
IUPAC Name—
SMILESC=C(OCC)[C@@H](O[Si](C)C)c1ccccc1
InChIInChI=1S/C13H19O2Si/c1-5-14-11(2)13(15-16(3)4)12-9-7-6-8-10-12/h6-10,13H,2,5H2,1,3-4H3/t13-/m1/s1
InChIKeyWGVQVWKZNHIFGJ-CYBMUJFWSA-N
XLogP3.55
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 ≤ 53.55
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'acyclic_C=C-O', 'substructure': 'N/A'}, {'alert_name': 'heavy_metal', 'substructure': 'N/A'}

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Related Compounds

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CID 102062178
ethyl (2S)-2-phenylpropanoate
CID 7204861
ethyl (2R)-2-amino-2-phenylacetate
CID 6922658
ethyl 2-hydroxy-2-phenylacetate
CID 90673198
butan-2-yl 2-ethoxy-2-phenylacetate
CID 118039785
ethyl 2-(2,2-difluoroethoxy)-2-phenylacetate
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Frequently Asked Questions

What is the IUPAC name of CID 134882955?
The IUPAC name of CID 134882955 (CID 134882955) is not available.
What is the SMILES notation for CID 134882955?
The canonical SMILES for CID 134882955 is C=C(OCC)[C@@H](O[Si](C)C)c1ccccc1.
What is the InChIKey of CID 134882955?
The InChIKey is WGVQVWKZNHIFGJ-CYBMUJFWSA-N. The full InChI is InChI=1S/C13H19O2Si/c1-5-14-11(2)13(15-16(3)4)12-9-7-6-8-10-12/h6-10,13H,2,5H2,1,3-4H3/t13-/m1/s1.
What are the key properties of CID 134882955?
CID 134882955 has a molecular weight of 235.38 g/mol, XLogP of 3.55, 6 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for CID 134882955 is sourced from PubChem (CID 134882955), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).