(2,5-dimethyl-3-propan-2-ylhexan-3-yl)oxy-diethoxy-(2-fluoroethyl)silane

C17H37FO3Si — CID 175018317

IUPAC(2,5-dimethyl-3-propan-2-ylhexan-3-yl)oxy-diethoxy-(2-fluoroethyl)silane
SMILESCCO[Si](CCF)(OCC)OC(CC(C)C)(C(C)C)C(C)C
InChIInChI=1S/C17H37FO3Si/c1-9-19-22(12-11-18,20-10-2)21-17(15(5)6,16(7)8)13-14(3)4/h14-16H,9-13H2,1-8H3
InChIKeyGXDHSJXGAVSNMC-UHFFFAOYSA-N
MW336.56 g/mol
LogP5.08
Rot. Bonds12

About (2,5-dimethyl-3-propan-2-ylhexan-3-yl)oxy-diethoxy-(2-fluoroethyl)silane

(2,5-dimethyl-3-propan-2-ylhexan-3-yl)oxy-diethoxy-(2-fluoroethyl)silane (PubChem CID 175018317) has the molecular formula C17H37FO3Si and a molecular weight of 336.56 g/mol. Its IUPAC name is (2,5-dimethyl-3-propan-2-ylhexan-3-yl)oxy-diethoxy-(2-fluoroethyl)silane.

Molecular Properties

Compound Name(2,5-dimethyl-3-propan-2-ylhexan-3-yl)oxy-diethoxy-(2-fluoroethyl)silane
PubChem CID175018317
Molecular FormulaC17H37FO3Si
Molecular Weight336.56 g/mol
Exact Mass336.25
IUPAC Name(2,5-dimethyl-3-propan-2-ylhexan-3-yl)oxy-diethoxy-(2-fluoroethyl)silane
SMILESCCO[Si](CCF)(OCC)OC(CC(C)C)(C(C)C)C(C)C
InChIInChI=1S/C17H37FO3Si/c1-9-19-22(12-11-18,20-10-2)21-17(15(5)6,16(7)8)13-14(3)4/h14-16H,9-13H2,1-8H3
InChIKeyGXDHSJXGAVSNMC-UHFFFAOYSA-N
XLogP5.08
TPSA27.69 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds12
Heavy Atoms22
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500336.56
LogP ≤ 55.08
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'heavy_metal', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of (2,5-dimethyl-3-propan-2-ylhexan-3-yl)oxy-diethoxy-(2-fluoroethyl)silane?
The IUPAC name of (2,5-dimethyl-3-propan-2-ylhexan-3-yl)oxy-diethoxy-(2-fluoroethyl)silane (CID 175018317) is (2,5-dimethyl-3-propan-2-ylhexan-3-yl)oxy-diethoxy-(2-fluoroethyl)silane.
What is the SMILES notation for (2,5-dimethyl-3-propan-2-ylhexan-3-yl)oxy-diethoxy-(2-fluoroethyl)silane?
The canonical SMILES for (2,5-dimethyl-3-propan-2-ylhexan-3-yl)oxy-diethoxy-(2-fluoroethyl)silane is CCO[Si](CCF)(OCC)OC(CC(C)C)(C(C)C)C(C)C.
What is the InChIKey of (2,5-dimethyl-3-propan-2-ylhexan-3-yl)oxy-diethoxy-(2-fluoroethyl)silane?
The InChIKey is GXDHSJXGAVSNMC-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H37FO3Si/c1-9-19-22(12-11-18,20-10-2)21-17(15(5)6,16(7)8)13-14(3)4/h14-16H,9-13H2,1-8H3.
What are the key properties of (2,5-dimethyl-3-propan-2-ylhexan-3-yl)oxy-diethoxy-(2-fluoroethyl)silane?
(2,5-dimethyl-3-propan-2-ylhexan-3-yl)oxy-diethoxy-(2-fluoroethyl)silane has a molecular weight of 336.56 g/mol, XLogP of 5.08, 12 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for (2,5-dimethyl-3-propan-2-ylhexan-3-yl)oxy-diethoxy-(2-fluoroethyl)silane is sourced from PubChem (CID 175018317), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).