(E)-6-[fluoro(dimethyl)silyl]-4-methyl-6-trimethylsilylhex-4-enoic acid

C12H25FO2Si2 — CID 5366889

IUPAC(E)-6-[fluoro(dimethyl)silyl]-4-methyl-6-trimethylsilylhex-4-enoic acid
SMILESC/C(=C\C([Si](C)(C)C)[Si](C)(C)F)CCC(=O)O
InChIInChI=1S/C12H25FO2Si2/c1-10(7-8-11(14)15)9-12(16(2,3)4)17(5,6)13/h9,12H,7-8H2,1-6H3,(H,14,15)/b10-9+
InChIKeyDZKXAFFTDHWEJA-MDZDMXLPSA-N
MW276.50 g/mol
LogP4.22
Rot. Bonds6

About (E)-6-[fluoro(dimethyl)silyl]-4-methyl-6-trimethylsilylhex-4-enoic acid

(E)-6-[fluoro(dimethyl)silyl]-4-methyl-6-trimethylsilylhex-4-enoic acid (PubChem CID 5366889) has the molecular formula C12H25FO2Si2 and a molecular weight of 276.50 g/mol. Its IUPAC name is (E)-6-[fluoro(dimethyl)silyl]-4-methyl-6-trimethylsilylhex-4-enoic acid.

Molecular Properties

Compound Name(E)-6-[fluoro(dimethyl)silyl]-4-methyl-6-trimethylsilylhex-4-enoic acid
PubChem CID5366889
Molecular FormulaC12H25FO2Si2
Molecular Weight276.50 g/mol
Exact Mass276.14
IUPAC Name(E)-6-[fluoro(dimethyl)silyl]-4-methyl-6-trimethylsilylhex-4-enoic acid
SMILESC/C(=C\C([Si](C)(C)C)[Si](C)(C)F)CCC(=O)O
InChIInChI=1S/C12H25FO2Si2/c1-10(7-8-11(14)15)9-12(16(2,3)4)17(5,6)13/h9,12H,7-8H2,1-6H3,(H,14,15)/b10-9+
InChIKeyDZKXAFFTDHWEJA-MDZDMXLPSA-N
XLogP4.22
TPSA37.30 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds6
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500276.50
LogP ≤ 54.22
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 101

Computed Properties (RDKit)

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

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Related Compounds

6-Methyl-5-octenoic acid
CID 5282652
methyl (E,3S)-4-methyl-3-trimethylsilylhex-4-enoate
CID 9990830
(E)-4-methyl-6-trimethylsilylhex-4-enoic acid
CID 14190140
(E)-8-trimethylsilyloct-5-en-7-ynoic acid
CID 154718524
6-Methyloct-5-enoic acid
CID 593510
4-(Trimethylsilylmethyl)pent-4-enoic acid
CID 18461138
(5E)-6,10-dimethylundeca-5,9-dienoic acid
CID 21631160
(4E,8E)-4,8-dimethyldeca-4,8-dienoic acid
CID 21932491
(4Z,8Z)-4,8-dimethyldeca-4,8-dienoic acid
CID 23379726
4,9-Dimethyldeca-4,8-dienoic acid
CID 54017281
(4E)-4,9-dimethyldeca-4,8-dienoic acid
CID 59960762
6,10-Dimethylundeca-5,9-dienoic acid
CID 71357971

Frequently Asked Questions

What is the IUPAC name of (E)-6-[fluoro(dimethyl)silyl]-4-methyl-6-trimethylsilylhex-4-enoic acid?
The IUPAC name of (E)-6-[fluoro(dimethyl)silyl]-4-methyl-6-trimethylsilylhex-4-enoic acid (CID 5366889) is (E)-6-[fluoro(dimethyl)silyl]-4-methyl-6-trimethylsilylhex-4-enoic acid.
What is the SMILES notation for (E)-6-[fluoro(dimethyl)silyl]-4-methyl-6-trimethylsilylhex-4-enoic acid?
The canonical SMILES for (E)-6-[fluoro(dimethyl)silyl]-4-methyl-6-trimethylsilylhex-4-enoic acid is C/C(=C\C([Si](C)(C)C)[Si](C)(C)F)CCC(=O)O.
What is the InChIKey of (E)-6-[fluoro(dimethyl)silyl]-4-methyl-6-trimethylsilylhex-4-enoic acid?
The InChIKey is DZKXAFFTDHWEJA-MDZDMXLPSA-N. The full InChI is InChI=1S/C12H25FO2Si2/c1-10(7-8-11(14)15)9-12(16(2,3)4)17(5,6)13/h9,12H,7-8H2,1-6H3,(H,14,15)/b10-9+.
What are the key properties of (E)-6-[fluoro(dimethyl)silyl]-4-methyl-6-trimethylsilylhex-4-enoic acid?
(E)-6-[fluoro(dimethyl)silyl]-4-methyl-6-trimethylsilylhex-4-enoic acid has a molecular weight of 276.50 g/mol, XLogP of 4.22, 6 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for (E)-6-[fluoro(dimethyl)silyl]-4-methyl-6-trimethylsilylhex-4-enoic acid is sourced from PubChem (CID 5366889), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).