di(propan-2-yloxy)methoxy-[5-(2,3,4,5-tetrafluorophenyl)pentyl]silane

C18H28F4O3Si — CID 154500752

IUPACdi(propan-2-yloxy)methoxy-[5-(2,3,4,5-tetrafluorophenyl)pentyl]silane
SMILESCC(C)OC(O[SiH2]CCCCCc1cc(F)c(F)c(F)c1F)OC(C)C
InChIInChI=1S/C18H28F4O3Si/c1-11(2)23-18(24-12(3)4)25-26-9-7-5-6-8-13-10-14(19)16(21)17(22)15(13)20/h10-12,18H,5-9,26H2,1-4H3
InChIKeyFOABZESFINYKIG-UHFFFAOYSA-N
MW396.50 g/mol
LogP4.61
Rot. Bonds12

About di(propan-2-yloxy)methoxy-[5-(2,3,4,5-tetrafluorophenyl)pentyl]silane

di(propan-2-yloxy)methoxy-[5-(2,3,4,5-tetrafluorophenyl)pentyl]silane (PubChem CID 154500752) has the molecular formula C18H28F4O3Si and a molecular weight of 396.50 g/mol. Its IUPAC name is di(propan-2-yloxy)methoxy-[5-(2,3,4,5-tetrafluorophenyl)pentyl]silane.

Molecular Properties

Compound Namedi(propan-2-yloxy)methoxy-[5-(2,3,4,5-tetrafluorophenyl)pentyl]silane
PubChem CID154500752
Molecular FormulaC18H28F4O3Si
Molecular Weight396.50 g/mol
Exact Mass396.17
IUPAC Namedi(propan-2-yloxy)methoxy-[5-(2,3,4,5-tetrafluorophenyl)pentyl]silane
SMILESCC(C)OC(O[SiH2]CCCCCc1cc(F)c(F)c(F)c1F)OC(C)C
InChIInChI=1S/C18H28F4O3Si/c1-11(2)23-18(24-12(3)4)25-26-9-7-5-6-8-13-10-14(19)16(21)17(22)15(13)20/h10-12,18H,5-9,26H2,1-4H3
InChIKeyFOABZESFINYKIG-UHFFFAOYSA-N
XLogP4.61
TPSA27.69 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds12
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500396.50
LogP ≤ 54.61
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}, {'alert_name': 'halogenated_ring_1', 'substructure': 'N/A'}, {'alert_name': 'halogenated_ring_2', 'substructure': 'N/A'}, {'alert_name': 'heavy_metal', 'substructure': 'N/A'}, {'alert_name': 'het-C-het_not_in_ring', 'substructure': 'N/A'}

Analyze di(propan-2-yloxy)methoxy-[5-(2,3,4,5-tetrafluorophenyl)pentyl]silane with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

di(propan-2-yloxy)methoxy-[3-(2,3,4,5-tetrafluorophenyl)propyl]silane
CID 154500746
CID 90175207
CID 90175207
3-(3,5-difluorophenyl)propyl-[di(propan-2-yloxy)methoxy]silane
CID 154500811
4-(2,3,4,5-tetrafluorophenyl)butan-1-amine
CID 87970445
diethoxymethoxy-[3-(2,4,5-trifluorophenyl)propyl]silane
CID 154500757
CID 90175204
CID 90175204
1-[6-(2-ethoxypropan-2-yl)tetradecyl]-2,3,4,5-tetrafluorobenzene
CID 151419404
dimethoxy-methyl-[4-(2,3,4,5-tetrafluorophenyl)butyl]silane
CID 90171977
dihydroxy-methoxy-[6-(2,3,4,5-tetrafluorophenyl)hexyl]silane
CID 90175405
diethoxy-methyl-[5-(2,3,4,5-tetrafluorophenyl)pentyl]silane
CID 90173067
trihydroxy-[5-(2,3,4,5-tetrafluorophenyl)pentyl]silane
CID 90174029
di(propan-2-yloxy)methoxy-[4-(2,3,4,5-tetrafluorophenyl)phenyl]silane
CID 154173325

Frequently Asked Questions

What is the IUPAC name of di(propan-2-yloxy)methoxy-[5-(2,3,4,5-tetrafluorophenyl)pentyl]silane?
The IUPAC name of di(propan-2-yloxy)methoxy-[5-(2,3,4,5-tetrafluorophenyl)pentyl]silane (CID 154500752) is di(propan-2-yloxy)methoxy-[5-(2,3,4,5-tetrafluorophenyl)pentyl]silane.
What is the SMILES notation for di(propan-2-yloxy)methoxy-[5-(2,3,4,5-tetrafluorophenyl)pentyl]silane?
The canonical SMILES for di(propan-2-yloxy)methoxy-[5-(2,3,4,5-tetrafluorophenyl)pentyl]silane is CC(C)OC(O[SiH2]CCCCCc1cc(F)c(F)c(F)c1F)OC(C)C.
What is the InChIKey of di(propan-2-yloxy)methoxy-[5-(2,3,4,5-tetrafluorophenyl)pentyl]silane?
The InChIKey is FOABZESFINYKIG-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H28F4O3Si/c1-11(2)23-18(24-12(3)4)25-26-9-7-5-6-8-13-10-14(19)16(21)17(22)15(13)20/h10-12,18H,5-9,26H2,1-4H3.
What are the key properties of di(propan-2-yloxy)methoxy-[5-(2,3,4,5-tetrafluorophenyl)pentyl]silane?
di(propan-2-yloxy)methoxy-[5-(2,3,4,5-tetrafluorophenyl)pentyl]silane has a molecular weight of 396.50 g/mol, XLogP of 4.61, 12 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for di(propan-2-yloxy)methoxy-[5-(2,3,4,5-tetrafluorophenyl)pentyl]silane is sourced from PubChem (CID 154500752), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).