CID 90174712

C14H20FO3Si — CID 90174712

IUPAC—
SMILESCCOC(CCCc1cccc(F)c1)(O[Si])OCC
InChIInChI=1S/C14H20FO3Si/c1-3-16-14(18-19,17-4-2)10-6-8-12-7-5-9-13(15)11-12/h5,7,9,11H,3-4,6,8,10H2,1-2H3
InChIKeyDAFFLRIECLUUHW-UHFFFAOYSA-N
MW283.39 g/mol
LogP2.98
Rot. Bonds9

About CID 90174712

CID 90174712 (PubChem CID 90174712) has the molecular formula C14H20FO3Si and a molecular weight of 283.39 g/mol.

Molecular Properties

Compound NameCID 90174712
PubChem CID90174712
Molecular FormulaC14H20FO3Si
Molecular Weight283.39 g/mol
Exact Mass283.12
IUPAC Name—
SMILESCCOC(CCCc1cccc(F)c1)(O[Si])OCC
InChIInChI=1S/C14H20FO3Si/c1-3-16-14(18-19,17-4-2)10-6-8-12-7-5-9-13(15)11-12/h5,7,9,11H,3-4,6,8,10H2,1-2H3
InChIKeyDAFFLRIECLUUHW-UHFFFAOYSA-N
XLogP2.98
TPSA27.69 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds9
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500283.39
LogP ≤ 52.98
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

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acetylene;1-butyl-3-fluorobenzene
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CID 90170880
CID 90170880
triethoxy-[5-(3-fluorophenyl)pentyl]silane
CID 90172319
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CID 146004750
N-[3-(3-fluorophenyl)propoxy]methanamine
CID 117126889
6-(3-fluorophenyl)hexan-3-ol
CID 64515590
diethoxy-[6-(3-fluorophenyl)hexyl]-hydroxysilane
CID 90170541
2-ethoxy-N-[(3-fluorophenyl)methyl]-2-methylpropan-1-amine
CID 114940815
6-(3-fluorophenyl)hexan-3-one
CID 64521140

Frequently Asked Questions

What is the IUPAC name of CID 90174712?
The IUPAC name of CID 90174712 (CID 90174712) is not available.
What is the SMILES notation for CID 90174712?
The canonical SMILES for CID 90174712 is CCOC(CCCc1cccc(F)c1)(O[Si])OCC.
What is the InChIKey of CID 90174712?
The InChIKey is DAFFLRIECLUUHW-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H20FO3Si/c1-3-16-14(18-19,17-4-2)10-6-8-12-7-5-9-13(15)11-12/h5,7,9,11H,3-4,6,8,10H2,1-2H3.
What are the key properties of CID 90174712?
CID 90174712 has a molecular weight of 283.39 g/mol, XLogP of 2.98, 9 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for CID 90174712 is sourced from PubChem (CID 90174712), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).