CID 22022700

C12H15O2Si — CID 22022700

IUPAC—
SMILESC=C([Si])c1cccc(OCC)c1OCC
InChIInChI=1S/C12H15O2Si/c1-4-13-11-8-6-7-10(9(3)15)12(11)14-5-2/h6-8H,3-5H2,1-2H3
InChIKeySFTVKSCYJVNROT-UHFFFAOYSA-N
MW219.34 g/mol
LogP2.62
Rot. Bonds5

About CID 22022700

CID 22022700 (PubChem CID 22022700) has the molecular formula C12H15O2Si and a molecular weight of 219.34 g/mol.

Molecular Properties

Compound NameCID 22022700
PubChem CID22022700
Molecular FormulaC12H15O2Si
Molecular Weight219.34 g/mol
Exact Mass219.08
IUPAC Name—
SMILESC=C([Si])c1cccc(OCC)c1OCC
InChIInChI=1S/C12H15O2Si/c1-4-13-11-8-6-7-10(9(3)15)12(11)14-5-2/h6-8H,3-5H2,1-2H3
InChIKeySFTVKSCYJVNROT-UHFFFAOYSA-N
XLogP2.62
TPSA18.46 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds5
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500219.34
LogP ≤ 52.62
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

(E)-3-(2,3-diethoxyphenyl)pent-2-enoic acid
CID 83950039
3-ethoxy-2-(2-phenylethoxy)benzoic acid
CID 43366597
2-(2,3-diethoxyphenyl)propan-2-ol
CID 174362963
2-ethoxy-3-methoxybenzoyl chloride
CID 21314777
methyl 2-ethoxy-3-methoxybenzoate
CID 45094190
methyl 3-ethoxy-2-methoxybenzoate
CID 82161720
(2,3-diethoxyphenyl) acetate
CID 19833387
1-ethoxy-2-(1-phenylethenyl)benzene
CID 162347910
3-ethoxy-2-(2-hydroxypropoxy)benzoic acid
CID 60884976
2-ethoxy-3-(trifluoromethoxy)benzoate
CID 170681949
ethyl 2-ethoxy-3-methoxybenzoate
CID 82186199
1-ethoxyphenanthrene
CID 19828992

Frequently Asked Questions

What is the IUPAC name of CID 22022700?
The IUPAC name of CID 22022700 (CID 22022700) is not available.
What is the SMILES notation for CID 22022700?
The canonical SMILES for CID 22022700 is C=C([Si])c1cccc(OCC)c1OCC.
What is the InChIKey of CID 22022700?
The InChIKey is SFTVKSCYJVNROT-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H15O2Si/c1-4-13-11-8-6-7-10(9(3)15)12(11)14-5-2/h6-8H,3-5H2,1-2H3.
What are the key properties of CID 22022700?
CID 22022700 has a molecular weight of 219.34 g/mol, XLogP of 2.62, 5 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for CID 22022700 is sourced from PubChem (CID 22022700), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).