[dimethyl(3,3,3-trifluoropropyl)silyl] 3-methylbut-2-enoate

C10H17F3O2Si — CID 91698367

IUPAC[dimethyl(3,3,3-trifluoropropyl)silyl] 3-methylbut-2-enoate
SMILESCC(C)=CC(=O)O[Si](C)(C)CCC(F)(F)F
InChIInChI=1S/C10H17F3O2Si/c1-8(2)7-9(14)15-16(3,4)6-5-10(11,12)13/h7H,5-6H2,1-4H3
InChIKeyDXLLHCKPEIVNIP-UHFFFAOYSA-N
MW254.32 g/mol
LogP3.65
Rot. Bonds4

About [dimethyl(3,3,3-trifluoropropyl)silyl] 3-methylbut-2-enoate

[dimethyl(3,3,3-trifluoropropyl)silyl] 3-methylbut-2-enoate (PubChem CID 91698367) has the molecular formula C10H17F3O2Si and a molecular weight of 254.32 g/mol. Its IUPAC name is [dimethyl(3,3,3-trifluoropropyl)silyl] 3-methylbut-2-enoate.

Molecular Properties

Compound Name[dimethyl(3,3,3-trifluoropropyl)silyl] 3-methylbut-2-enoate
PubChem CID91698367
Molecular FormulaC10H17F3O2Si
Molecular Weight254.32 g/mol
Exact Mass254.09
IUPAC Name[dimethyl(3,3,3-trifluoropropyl)silyl] 3-methylbut-2-enoate
SMILESCC(C)=CC(=O)O[Si](C)(C)CCC(F)(F)F
InChIInChI=1S/C10H17F3O2Si/c1-8(2)7-9(14)15-16(3,4)6-5-10(11,12)13/h7H,5-6H2,1-4H3
InChIKeyDXLLHCKPEIVNIP-UHFFFAOYSA-N
XLogP3.65
TPSA26.30 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500254.32
LogP ≤ 53.65
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'heavy_metal', 'substructure': 'N/A'}, {'alert_name': 'Michael_acceptor_1', 'substructure': 'N/A'}

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Related Compounds

tert-Butyl(dimethyl)silyl 3-methylbut-2-enoate
CID 13708941
Crotonic acid, 3-methyl-, trimethylsilyl ester
CID 520203
Trimethylsilyl 4,4,4-trifluoro-3-(trifluoromethyl)but-2-enoate
CID 13155188
ethyl (Z)-3-[[tert-butyl(dimethyl)silyl]oxymethyl]-4,4,4-trifluorobut-2-enoate
CID 171836003
[Dimethyl(prop-2-enyl)silyl] 2,4,4,4-tetrafluoro-3-(trifluoromethyl)but-2-enoate
CID 173827309
Triethylsilyl 2,4,4,4-tetrafluoro-3-(trifluoromethyl)but-2-enoate
CID 173827313
trans-2,3-Dimethylacrylic acid, tert-butyldimethylsilyl ester
CID 13040638
Tri(propan-2-yl)silyl 2-methylbut-2-enoate
CID 174982169
3-Methylbut-2-enoate;trimethylsilanylium
CID 176000818
Trimethylsilyl 3-methyl-4-(trimethylsilyl)but-2-enoate
CID 2733567
Trimethylsilyl 3-trimethylsilylmethylcrotonate
CID 5702559
trimethylsilyl (E)-3-methyl-4-trimethylsilylbut-2-enoate
CID 6508713

Frequently Asked Questions

What is the IUPAC name of [dimethyl(3,3,3-trifluoropropyl)silyl] 3-methylbut-2-enoate?
The IUPAC name of [dimethyl(3,3,3-trifluoropropyl)silyl] 3-methylbut-2-enoate (CID 91698367) is [dimethyl(3,3,3-trifluoropropyl)silyl] 3-methylbut-2-enoate.
What is the SMILES notation for [dimethyl(3,3,3-trifluoropropyl)silyl] 3-methylbut-2-enoate?
The canonical SMILES for [dimethyl(3,3,3-trifluoropropyl)silyl] 3-methylbut-2-enoate is CC(C)=CC(=O)O[Si](C)(C)CCC(F)(F)F.
What is the InChIKey of [dimethyl(3,3,3-trifluoropropyl)silyl] 3-methylbut-2-enoate?
The InChIKey is DXLLHCKPEIVNIP-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H17F3O2Si/c1-8(2)7-9(14)15-16(3,4)6-5-10(11,12)13/h7H,5-6H2,1-4H3.
What are the key properties of [dimethyl(3,3,3-trifluoropropyl)silyl] 3-methylbut-2-enoate?
[dimethyl(3,3,3-trifluoropropyl)silyl] 3-methylbut-2-enoate has a molecular weight of 254.32 g/mol, XLogP of 3.65, 4 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for [dimethyl(3,3,3-trifluoropropyl)silyl] 3-methylbut-2-enoate is sourced from PubChem (CID 91698367), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).