CID 90170787

C14H20F2O3Si — CID 90170787

IUPAC—
SMILESCC(C)OC(O[Si]Cc1ccc(F)cc1F)OC(C)C
InChIInChI=1S/C14H20F2O3Si/c1-9(2)17-14(18-10(3)4)19-20-8-11-5-6-12(15)7-13(11)16/h5-7,9-10,14H,8H2,1-4H3
InChIKeyXVERRQJUPSYXGS-UHFFFAOYSA-N
MW302.39 g/mol
LogP3.23
Rot. Bonds8

About CID 90170787

CID 90170787 (PubChem CID 90170787) has the molecular formula C14H20F2O3Si and a molecular weight of 302.39 g/mol.

Molecular Properties

Compound NameCID 90170787
PubChem CID90170787
Molecular FormulaC14H20F2O3Si
Molecular Weight302.39 g/mol
Exact Mass302.11
IUPAC Name—
SMILESCC(C)OC(O[Si]Cc1ccc(F)cc1F)OC(C)C
InChIInChI=1S/C14H20F2O3Si/c1-9(2)17-14(18-10(3)4)19-20-8-11-5-6-12(15)7-13(11)16/h5-7,9-10,14H,8H2,1-4H3
InChIKeyXVERRQJUPSYXGS-UHFFFAOYSA-N
XLogP3.23
TPSA27.69 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds8
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500302.39
LogP ≤ 53.23
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

(Diethoxymethyl)(4-ethenylphenyl)silane
CID 67298366
Diethoxymethyl[m-(trifluoromethyl)phenyl]silane
CID 129810204
Dimethyl-propan-2-yloxy-[4-(trifluoromethyl)phenyl]silane
CID 135086451
(2-Ethoxy-1,1,1-trifluoro-4-phenylbut-3-yn-2-yl)oxy-trimethylsilane
CID 23236909
CID 3023430
CID 3023430
1-(Methyldiethoxysilyl)-3-(trifluoromethyl)benzene
CID 15259160
1-(Methyldiethoxysilyl)-4-(trifluoromethyl)benzene
CID 15259161
Triethoxy-[(4-fluorophenyl)methyl]silane
CID 23177192
Triethoxy-[2-(4-fluorophenyl)ethyl]silane
CID 46872320
Diethoxymethyl-(4-ethenylphenyl)silane
CID 71442631
Triethoxy-[fluoro-(2,3,4,5-tetrafluorophenyl)methyl]silane
CID 87444472
Benzyl-diethoxy-(1,1,2,2,2-pentafluoroethoxy)silane
CID 87444473

Frequently Asked Questions

What is the IUPAC name of CID 90170787?
The IUPAC name of CID 90170787 (CID 90170787) is not available.
What is the SMILES notation for CID 90170787?
The canonical SMILES for CID 90170787 is CC(C)OC(O[Si]Cc1ccc(F)cc1F)OC(C)C.
What is the InChIKey of CID 90170787?
The InChIKey is XVERRQJUPSYXGS-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H20F2O3Si/c1-9(2)17-14(18-10(3)4)19-20-8-11-5-6-12(15)7-13(11)16/h5-7,9-10,14H,8H2,1-4H3.
What are the key properties of CID 90170787?
CID 90170787 has a molecular weight of 302.39 g/mol, XLogP of 3.23, 8 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for CID 90170787 is sourced from PubChem (CID 90170787), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).