CID 90170572

C13H19FO3Si — CID 90170572

IUPAC—
SMILESCC(C)OC(O[Si]c1cccc(F)c1)OC(C)C
InChIInChI=1S/C13H19FO3Si/c1-9(2)15-13(16-10(3)4)17-18-12-7-5-6-11(14)8-12/h5-10,13H,1-4H3
InChIKeyXNAWWXCZODGZQI-UHFFFAOYSA-N
MW270.38 g/mol
LogP2.22
Rot. Bonds7

About CID 90170572

CID 90170572 (PubChem CID 90170572) has the molecular formula C13H19FO3Si and a molecular weight of 270.38 g/mol.

Molecular Properties

Compound NameCID 90170572
PubChem CID90170572
Molecular FormulaC13H19FO3Si
Molecular Weight270.38 g/mol
Exact Mass270.11
IUPAC Name—
SMILESCC(C)OC(O[Si]c1cccc(F)c1)OC(C)C
InChIInChI=1S/C13H19FO3Si/c1-9(2)15-13(16-10(3)4)17-18-12-7-5-6-11(14)8-12/h5-10,13H,1-4H3
InChIKeyXNAWWXCZODGZQI-UHFFFAOYSA-N
XLogP2.22
TPSA27.69 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds7
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500270.38
LogP ≤ 52.22
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'heavy_metal', 'substructure': 'N/A'}, {'alert_name': 'het-C-het_not_in_ring', 'substructure': 'N/A'}

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Related Compounds

(3,4-Difluorophenyl)-triethoxysilane
CID 12006362
Triethoxy(4-fluorophenyl)silane
CID 12092822
Triethoxy-(2-fluorophenyl)silane
CID 139239787
Silane, tris(1-methylethoxy)phenyl-
CID 11608892
(3-Fluorophenyl)-dimethyl-propan-2-yloxysilane
CID 135084655
CID 23105603
CID 23105603
Tris(1-methoxyethoxy)-phenylsilane
CID 19773421
(2,6-Difluorophenyl)-triethoxysilane
CID 21946918
CID 58757880
CID 58757880
(Diethoxymethyl)phenylsilane
CID 71431033
Dimethoxy-propan-2-yloxy-(3,4,5-trifluorophenyl)silane
CID 90170275
CID 90170295
CID 90170295

Frequently Asked Questions

What is the IUPAC name of CID 90170572?
The IUPAC name of CID 90170572 (CID 90170572) is not available.
What is the SMILES notation for CID 90170572?
The canonical SMILES for CID 90170572 is CC(C)OC(O[Si]c1cccc(F)c1)OC(C)C.
What is the InChIKey of CID 90170572?
The InChIKey is XNAWWXCZODGZQI-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H19FO3Si/c1-9(2)15-13(16-10(3)4)17-18-12-7-5-6-11(14)8-12/h5-10,13H,1-4H3.
What are the key properties of CID 90170572?
CID 90170572 has a molecular weight of 270.38 g/mol, XLogP of 2.22, 7 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for CID 90170572 is sourced from PubChem (CID 90170572), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).