CID 90172809

C14H20F2O3Si — CID 90172809

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

About CID 90172809

CID 90172809 (PubChem CID 90172809) has the molecular formula C14H20F2O3Si and a molecular weight of 302.39 g/mol.

Molecular Properties

Compound NameCID 90172809
PubChem CID90172809
Molecular FormulaC14H20F2O3Si
Molecular Weight302.39 g/mol
Exact Mass302.11
IUPAC Name—
SMILESCC(C)OC(O[Si]Cc1ccc(F)c(F)c1)OC(C)C
InChIInChI=1S/C14H20F2O3Si/c1-9(2)17-14(18-10(3)4)19-20-8-11-5-6-12(15)13(16)7-11/h5-7,9-10,14H,8H2,1-4H3
InChIKeyVRJAGQVYWQJARC-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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Frequently Asked Questions

What is the IUPAC name of CID 90172809?
The IUPAC name of CID 90172809 (CID 90172809) is not available.
What is the SMILES notation for CID 90172809?
The canonical SMILES for CID 90172809 is CC(C)OC(O[Si]Cc1ccc(F)c(F)c1)OC(C)C.
What is the InChIKey of CID 90172809?
The InChIKey is VRJAGQVYWQJARC-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)13(16)7-11/h5-7,9-10,14H,8H2,1-4H3.
What are the key properties of CID 90172809?
CID 90172809 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 90172809 is sourced from PubChem (CID 90172809), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).