[(E)-4-methyl-5-trimethylsilylpent-3-enyl] methanesulfonate

C10H22O3SSi — CID 121216102

IUPAC[(E)-4-methyl-5-trimethylsilylpent-3-enyl] methanesulfonate
SMILESC/C(=C\CCOS(C)(=O)=O)C[Si](C)(C)C
InChIInChI=1S/C10H22O3SSi/c1-10(9-15(3,4)5)7-6-8-13-14(2,11)12/h7H,6,8-9H2,1-5H3/b10-7+
InChIKeySSCYFIXQERAFBK-JXMROGBWSA-N
MW250.44 g/mol
LogP2.64
Rot. Bonds6

About [(E)-4-methyl-5-trimethylsilylpent-3-enyl] methanesulfonate

[(E)-4-methyl-5-trimethylsilylpent-3-enyl] methanesulfonate (PubChem CID 121216102) has the molecular formula C10H22O3SSi and a molecular weight of 250.44 g/mol. Its IUPAC name is [(E)-4-methyl-5-trimethylsilylpent-3-enyl] methanesulfonate.

Molecular Properties

Compound Name[(E)-4-methyl-5-trimethylsilylpent-3-enyl] methanesulfonate
PubChem CID121216102
Molecular FormulaC10H22O3SSi
Molecular Weight250.44 g/mol
Exact Mass250.11
IUPAC Name[(E)-4-methyl-5-trimethylsilylpent-3-enyl] methanesulfonate
SMILESC/C(=C\CCOS(C)(=O)=O)C[Si](C)(C)C
InChIInChI=1S/C10H22O3SSi/c1-10(9-15(3,4)5)7-6-8-13-14(2,11)12/h7H,6,8-9H2,1-5H3/b10-7+
InChIKeySSCYFIXQERAFBK-JXMROGBWSA-N
XLogP2.64
TPSA43.37 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500250.44
LogP ≤ 52.64
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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'}, {'alert_name': 'Sulfonic_acid_1', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of [(E)-4-methyl-5-trimethylsilylpent-3-enyl] methanesulfonate?
The IUPAC name of [(E)-4-methyl-5-trimethylsilylpent-3-enyl] methanesulfonate (CID 121216102) is [(E)-4-methyl-5-trimethylsilylpent-3-enyl] methanesulfonate.
What is the SMILES notation for [(E)-4-methyl-5-trimethylsilylpent-3-enyl] methanesulfonate?
The canonical SMILES for [(E)-4-methyl-5-trimethylsilylpent-3-enyl] methanesulfonate is C/C(=C\CCOS(C)(=O)=O)C[Si](C)(C)C.
What is the InChIKey of [(E)-4-methyl-5-trimethylsilylpent-3-enyl] methanesulfonate?
The InChIKey is SSCYFIXQERAFBK-JXMROGBWSA-N. The full InChI is InChI=1S/C10H22O3SSi/c1-10(9-15(3,4)5)7-6-8-13-14(2,11)12/h7H,6,8-9H2,1-5H3/b10-7+.
What are the key properties of [(E)-4-methyl-5-trimethylsilylpent-3-enyl] methanesulfonate?
[(E)-4-methyl-5-trimethylsilylpent-3-enyl] methanesulfonate has a molecular weight of 250.44 g/mol, XLogP of 2.64, 6 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for [(E)-4-methyl-5-trimethylsilylpent-3-enyl] methanesulfonate is sourced from PubChem (CID 121216102), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).