[(E)-6-trimethylsilylhex-4-enyl] 2,2-dimethylpropanoate

C14H28O2Si — CID 102486405

IUPAC[(E)-6-trimethylsilylhex-4-enyl] 2,2-dimethylpropanoate
SMILESCC(C)(C)C(=O)OCCC/C=C/C[Si](C)(C)C
InChIInChI=1S/C14H28O2Si/c1-14(2,3)13(15)16-11-9-7-8-10-12-17(4,5)6/h8,10H,7,9,11-12H2,1-6H3/b10-8+
InChIKeyTXHGLZPQVLHVON-CSKARUKUSA-N
MW256.46 g/mol
LogP4.25
Rot. Bonds6

About [(E)-6-trimethylsilylhex-4-enyl] 2,2-dimethylpropanoate

[(E)-6-trimethylsilylhex-4-enyl] 2,2-dimethylpropanoate (PubChem CID 102486405) has the molecular formula C14H28O2Si and a molecular weight of 256.46 g/mol. Its IUPAC name is [(E)-6-trimethylsilylhex-4-enyl] 2,2-dimethylpropanoate.

Molecular Properties

Compound Name[(E)-6-trimethylsilylhex-4-enyl] 2,2-dimethylpropanoate
PubChem CID102486405
Molecular FormulaC14H28O2Si
Molecular Weight256.46 g/mol
Exact Mass256.19
IUPAC Name[(E)-6-trimethylsilylhex-4-enyl] 2,2-dimethylpropanoate
SMILESCC(C)(C)C(=O)OCCC/C=C/C[Si](C)(C)C
InChIInChI=1S/C14H28O2Si/c1-14(2,3)13(15)16-11-9-7-8-10-12-17(4,5)6/h8,10H,7,9,11-12H2,1-6H3/b10-8+
InChIKeyTXHGLZPQVLHVON-CSKARUKUSA-N
XLogP4.25
TPSA26.30 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds6
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500256.46
LogP ≤ 54.25
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

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Related Compounds

[(E)-6-trimethylsilylhex-4-en-2-yl] acetate
CID 12754625
ethyl (E)-2-trimethylsilylpent-3-enoate
CID 13217741
Methyl 1-methyl-2-trimethylsilylcyclohexa-2,5-diene-1-carboxylate
CID 15259542
[(E)-5-trimethylsilylpent-3-enyl] 2,2-dimethylpropanoate
CID 102486407
methyl (E,3S)-3-trimethylsilylhex-4-enoate
CID 134938980
methyl (E,3R)-3-trimethylsilylhex-4-enoate
CID 134962008
ethyl (2R)-2-[cyclohexa-2,5-dien-1-yl(dimethyl)silyl]propanoate
CID 134968975
methyl (E)-6-trimethylsilylhex-4-enoate
CID 134978772
[(E)-4-methylidene-7-trimethylsilylhept-5-enyl] acetate
CID 134982109
methyl (Z)-4-trimethylsilylhept-4-enoate
CID 134989471
ethyl (E,2R,3S)-2-methyl-3-trimethylsilylhex-4-enoate
CID 135084243
ethyl (E)-2-triethylsilylpent-3-enoate
CID 145865775

Frequently Asked Questions

What is the IUPAC name of [(E)-6-trimethylsilylhex-4-enyl] 2,2-dimethylpropanoate?
The IUPAC name of [(E)-6-trimethylsilylhex-4-enyl] 2,2-dimethylpropanoate (CID 102486405) is [(E)-6-trimethylsilylhex-4-enyl] 2,2-dimethylpropanoate.
What is the SMILES notation for [(E)-6-trimethylsilylhex-4-enyl] 2,2-dimethylpropanoate?
The canonical SMILES for [(E)-6-trimethylsilylhex-4-enyl] 2,2-dimethylpropanoate is CC(C)(C)C(=O)OCCC/C=C/C[Si](C)(C)C.
What is the InChIKey of [(E)-6-trimethylsilylhex-4-enyl] 2,2-dimethylpropanoate?
The InChIKey is TXHGLZPQVLHVON-CSKARUKUSA-N. The full InChI is InChI=1S/C14H28O2Si/c1-14(2,3)13(15)16-11-9-7-8-10-12-17(4,5)6/h8,10H,7,9,11-12H2,1-6H3/b10-8+.
What are the key properties of [(E)-6-trimethylsilylhex-4-enyl] 2,2-dimethylpropanoate?
[(E)-6-trimethylsilylhex-4-enyl] 2,2-dimethylpropanoate has a molecular weight of 256.46 g/mol, XLogP of 4.25, 6 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for [(E)-6-trimethylsilylhex-4-enyl] 2,2-dimethylpropanoate is sourced from PubChem (CID 102486405), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).