[2-bromo-1-[1,1-difluoro-2-(2-methoxyethoxymethoxy)-4-methylpent-1-en-3-yl]oxy-2,2-difluoroethoxy]-trimethylsilane

C15H27BrF4O5Si — CID 10624228

IUPAC[2-bromo-1-[1,1-difluoro-2-(2-methoxyethoxymethoxy)-4-methylpent-1-en-3-yl]oxy-2,2-difluoroethoxy]-trimethylsilane
SMILESCOCCOCOC(=C(F)F)C(OC(O[Si](C)(C)C)C(F)(F)Br)C(C)C
InChIInChI=1S/C15H27BrF4O5Si/c1-10(2)11(12(13(17)18)23-9-22-8-7-21-3)24-14(15(16,19)20)25-26(4,5)6/h10-11,14H,7-9H2,1-6H3
InChIKeyOUKUVPKOPJQPKS-UHFFFAOYSA-N
MW471.36 g/mol
LogP4.94
Rot. Bonds13

About [2-bromo-1-[1,1-difluoro-2-(2-methoxyethoxymethoxy)-4-methylpent-1-en-3-yl]oxy-2,2-difluoroethoxy]-trimethylsilane

[2-bromo-1-[1,1-difluoro-2-(2-methoxyethoxymethoxy)-4-methylpent-1-en-3-yl]oxy-2,2-difluoroethoxy]-trimethylsilane (PubChem CID 10624228) has the molecular formula C15H27BrF4O5Si and a molecular weight of 471.36 g/mol. Its IUPAC name is [2-bromo-1-[1,1-difluoro-2-(2-methoxyethoxymethoxy)-4-methylpent-1-en-3-yl]oxy-2,2-difluoroethoxy]-trimethylsilane.

Molecular Properties

Compound Name[2-bromo-1-[1,1-difluoro-2-(2-methoxyethoxymethoxy)-4-methylpent-1-en-3-yl]oxy-2,2-difluoroethoxy]-trimethylsilane
PubChem CID10624228
Molecular FormulaC15H27BrF4O5Si
Molecular Weight471.36 g/mol
Exact Mass470.07
IUPAC Name[2-bromo-1-[1,1-difluoro-2-(2-methoxyethoxymethoxy)-4-methylpent-1-en-3-yl]oxy-2,2-difluoroethoxy]-trimethylsilane
SMILESCOCCOCOC(=C(F)F)C(OC(O[Si](C)(C)C)C(F)(F)Br)C(C)C
InChIInChI=1S/C15H27BrF4O5Si/c1-10(2)11(12(13(17)18)23-9-22-8-7-21-3)24-14(15(16,19)20)25-26(4,5)6/h10-11,14H,7-9H2,1-6H3
InChIKeyOUKUVPKOPJQPKS-UHFFFAOYSA-N
XLogP4.94
TPSA46.15 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds13
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500471.36
LogP ≤ 54.94
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'acyclic_C=C-O', 'substructure': 'N/A'}, {'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}, {'alert_name': 'alkyl_halide', 'substructure': 'N/A'}, {'alert_name': 'heavy_metal', 'substructure': 'N/A'}, {'alert_name': 'het-C-het_not_in_ring', 'substructure': 'N/A'}

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Related Compounds

lithium 1,1-difluoro-2-(2-methoxyethoxymethoxy)-3-prop-2-ynoxypent-1-ene
CID 10492242
1,1-difluoro-2-(2-methoxyethoxymethoxy)-3-(2-methylprop-2-enoxy)pent-1-ene
CID 10540693
4,4-difluoro-5-(2-methoxyethoxymethoxy)-2-methylhexa-1,5-dien-3-ol
CID 10562743
1-[2,2-difluoro-1-(2-methoxyethoxymethoxy)ethenyl]-4-methoxybenzene
CID 102301219
[1,1-difluoro-2-(2-methoxyethoxymethoxy)-4,4-dimethylpent-1-en-3-yl] 2-(phenylmethoxycarbonylamino)acetate
CID 10837050
triethyl-[(E)-1-fluoro-2-(2-methoxyethoxymethoxy)-3-prop-2-enoxypent-1-enyl]silane
CID 177442971
2-(2-methoxyethoxy)ethoxymethyl acetate
CID 87088322
2-bromo-1,1,1-trifluoro-3-[2-(2-methoxyethoxy)ethoxy]propane
CID 104561199
fluoro-(2-methoxyethoxymethyl)-dimethylsilane
CID 123686420
1-[2-[2-(2-methoxyethoxy)ethoxy]ethoxy]-2-methylpropan-2-ol
CID 176872926
4-(2-methoxyethoxy)butan-2-ol
CID 21045149
2-[2-[2-[2-[2-[2-(2-methoxyethoxy)ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethyl 2-bromo-2-methylpropanoate
CID 11038281

Frequently Asked Questions

What is the IUPAC name of [2-bromo-1-[1,1-difluoro-2-(2-methoxyethoxymethoxy)-4-methylpent-1-en-3-yl]oxy-2,2-difluoroethoxy]-trimethylsilane?
The IUPAC name of [2-bromo-1-[1,1-difluoro-2-(2-methoxyethoxymethoxy)-4-methylpent-1-en-3-yl]oxy-2,2-difluoroethoxy]-trimethylsilane (CID 10624228) is [2-bromo-1-[1,1-difluoro-2-(2-methoxyethoxymethoxy)-4-methylpent-1-en-3-yl]oxy-2,2-difluoroethoxy]-trimethylsilane.
What is the SMILES notation for [2-bromo-1-[1,1-difluoro-2-(2-methoxyethoxymethoxy)-4-methylpent-1-en-3-yl]oxy-2,2-difluoroethoxy]-trimethylsilane?
The canonical SMILES for [2-bromo-1-[1,1-difluoro-2-(2-methoxyethoxymethoxy)-4-methylpent-1-en-3-yl]oxy-2,2-difluoroethoxy]-trimethylsilane is COCCOCOC(=C(F)F)C(OC(O[Si](C)(C)C)C(F)(F)Br)C(C)C.
What is the InChIKey of [2-bromo-1-[1,1-difluoro-2-(2-methoxyethoxymethoxy)-4-methylpent-1-en-3-yl]oxy-2,2-difluoroethoxy]-trimethylsilane?
The InChIKey is OUKUVPKOPJQPKS-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H27BrF4O5Si/c1-10(2)11(12(13(17)18)23-9-22-8-7-21-3)24-14(15(16,19)20)25-26(4,5)6/h10-11,14H,7-9H2,1-6H3.
What are the key properties of [2-bromo-1-[1,1-difluoro-2-(2-methoxyethoxymethoxy)-4-methylpent-1-en-3-yl]oxy-2,2-difluoroethoxy]-trimethylsilane?
[2-bromo-1-[1,1-difluoro-2-(2-methoxyethoxymethoxy)-4-methylpent-1-en-3-yl]oxy-2,2-difluoroethoxy]-trimethylsilane has a molecular weight of 471.36 g/mol, XLogP of 4.94, 13 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for [2-bromo-1-[1,1-difluoro-2-(2-methoxyethoxymethoxy)-4-methylpent-1-en-3-yl]oxy-2,2-difluoroethoxy]-trimethylsilane is sourced from PubChem (CID 10624228), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).