6-(2,4-difluorophenyl)hexyl-dimethoxy-propan-2-yloxysilane

C17H28F2O3Si — CID 90172610

IUPAC6-(2,4-difluorophenyl)hexyl-dimethoxy-propan-2-yloxysilane
SMILESCO[Si](CCCCCCc1ccc(F)cc1F)(OC)OC(C)C
InChIInChI=1S/C17H28F2O3Si/c1-14(2)22-23(20-3,21-4)12-8-6-5-7-9-15-10-11-16(18)13-17(15)19/h10-11,13-14H,5-9,12H2,1-4H3
InChIKeyTYJVXSLHTDZBLM-UHFFFAOYSA-N
MW346.49 g/mol
LogP4.72
Rot. Bonds11

About 6-(2,4-difluorophenyl)hexyl-dimethoxy-propan-2-yloxysilane

6-(2,4-difluorophenyl)hexyl-dimethoxy-propan-2-yloxysilane (PubChem CID 90172610) has the molecular formula C17H28F2O3Si and a molecular weight of 346.49 g/mol. Its IUPAC name is 6-(2,4-difluorophenyl)hexyl-dimethoxy-propan-2-yloxysilane.

Molecular Properties

Compound Name6-(2,4-difluorophenyl)hexyl-dimethoxy-propan-2-yloxysilane
PubChem CID90172610
Molecular FormulaC17H28F2O3Si
Molecular Weight346.49 g/mol
Exact Mass346.18
IUPAC Name6-(2,4-difluorophenyl)hexyl-dimethoxy-propan-2-yloxysilane
SMILESCO[Si](CCCCCCc1ccc(F)cc1F)(OC)OC(C)C
InChIInChI=1S/C17H28F2O3Si/c1-14(2)22-23(20-3,21-4)12-8-6-5-7-9-15-10-11-16(18)13-17(15)19/h10-11,13-14H,5-9,12H2,1-4H3
InChIKeyTYJVXSLHTDZBLM-UHFFFAOYSA-N
XLogP4.72
TPSA27.69 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds11
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500346.49
LogP ≤ 54.72
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

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Related Compounds

5-(2,4-difluorophenyl)pentyl-tri(propan-2-yloxy)silane
CID 90174590
6-(2,4-difluorophenyl)hexyl-ethoxy-dimethoxysilane
CID 90171825
6-(4-fluorophenyl)hexyl-methoxy-di(propan-2-yloxy)silane
CID 90174604
5-(2,4-difluorophenyl)pentyl-ethyl-dimethoxysilane
CID 90172058
4-(2,4-difluorophenyl)butyl-diethyl-methoxysilane
CID 90170935
methoxy-di(propan-2-yloxy)-[6-(3,4,5-trifluorophenyl)hexyl]silane
CID 90173436
4-(2,4-difluorophenyl)butyl-hydroxy-di(propan-2-yl)silane
CID 90172191
5-(2,4-difluorophenyl)pentyl-diethoxy-methylsilane
CID 90173469
tri(propan-2-yloxy)-[3-(2,4,5-trifluorophenyl)propyl]silane
CID 90171416
dimethoxy-propan-2-yloxy-[6-[4-(trifluoromethyl)phenyl]hexyl]silane
CID 90175181
tri(propan-2-yloxy)-[5-(3,4,5-trifluorophenyl)pentyl]silane
CID 90172630
4-(2,4-difluorophenyl)butyl-diethoxy-hydroxysilane
CID 90175118

Frequently Asked Questions

What is the IUPAC name of 6-(2,4-difluorophenyl)hexyl-dimethoxy-propan-2-yloxysilane?
The IUPAC name of 6-(2,4-difluorophenyl)hexyl-dimethoxy-propan-2-yloxysilane (CID 90172610) is 6-(2,4-difluorophenyl)hexyl-dimethoxy-propan-2-yloxysilane.
What is the SMILES notation for 6-(2,4-difluorophenyl)hexyl-dimethoxy-propan-2-yloxysilane?
The canonical SMILES for 6-(2,4-difluorophenyl)hexyl-dimethoxy-propan-2-yloxysilane is CO[Si](CCCCCCc1ccc(F)cc1F)(OC)OC(C)C.
What is the InChIKey of 6-(2,4-difluorophenyl)hexyl-dimethoxy-propan-2-yloxysilane?
The InChIKey is TYJVXSLHTDZBLM-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H28F2O3Si/c1-14(2)22-23(20-3,21-4)12-8-6-5-7-9-15-10-11-16(18)13-17(15)19/h10-11,13-14H,5-9,12H2,1-4H3.
What are the key properties of 6-(2,4-difluorophenyl)hexyl-dimethoxy-propan-2-yloxysilane?
6-(2,4-difluorophenyl)hexyl-dimethoxy-propan-2-yloxysilane has a molecular weight of 346.49 g/mol, XLogP of 4.72, 11 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 6-(2,4-difluorophenyl)hexyl-dimethoxy-propan-2-yloxysilane is sourced from PubChem (CID 90172610), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).