[(Z)-6-trimethylsilylhex-3-en-5-ynyl] 2-formylbenzoate

C17H20O3Si — CID 101159321

IUPAC[(Z)-6-trimethylsilylhex-3-en-5-ynyl] 2-formylbenzoate
SMILESC[Si](C)(C)C#C/C=C\CCOC(=O)c1ccccc1C=O
InChIInChI=1S/C17H20O3Si/c1-21(2,3)13-9-5-4-8-12-20-17(19)16-11-7-6-10-15(16)14-18/h4-7,10-11,14H,8,12H2,1-3H3/b5-4-
InChIKeyHXLSOPVARPNIDH-PLNGDYQASA-N
MW300.43 g/mol
LogP3.48
Rot. Bonds5

About [(Z)-6-trimethylsilylhex-3-en-5-ynyl] 2-formylbenzoate

[(Z)-6-trimethylsilylhex-3-en-5-ynyl] 2-formylbenzoate (PubChem CID 101159321) has the molecular formula C17H20O3Si and a molecular weight of 300.43 g/mol. Its IUPAC name is [(Z)-6-trimethylsilylhex-3-en-5-ynyl] 2-formylbenzoate.

Molecular Properties

Compound Name[(Z)-6-trimethylsilylhex-3-en-5-ynyl] 2-formylbenzoate
PubChem CID101159321
Molecular FormulaC17H20O3Si
Molecular Weight300.43 g/mol
Exact Mass300.12
IUPAC Name[(Z)-6-trimethylsilylhex-3-en-5-ynyl] 2-formylbenzoate
SMILESC[Si](C)(C)C#C/C=C\CCOC(=O)c1ccccc1C=O
InChIInChI=1S/C17H20O3Si/c1-21(2,3)13-9-5-4-8-12-20-17(19)16-11-7-6-10-15(16)14-18/h4-7,10-11,14H,8,12H2,1-3H3/b5-4-
InChIKeyHXLSOPVARPNIDH-PLNGDYQASA-N
XLogP3.48
TPSA43.37 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500300.43
LogP ≤ 53.48
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

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Related Compounds

2-phenylethyl 2-formylbenzoate
CID 10587030
[4-(chloromethoxy)-3,3-dimethyl-4-oxobutyl] 2-formylbenzoate
CID 139521366
pent-3-enyl 2-aminobenzoate
CID 85151102
but-3-enyl 2-(2-oxoethenyl)benzoate
CID 10353258
propyl 2-(methyliminomethyl)benzoate
CID 145402515
5,5-dimethoxypent-3-enyl benzoate
CID 135362399
[(E)-undec-6-en-4-ynyl] benzoate
CID 11103654
4-trimethylsilylbut-3-ynyl benzoate
CID 15214161
1-O-heptyl 2-O-[(E)-hex-3-enyl] benzene-1,2-dicarboxylate
CID 91719883
2-formylbenzoic acid;methoxymethane
CID 90858085
2-[7-(2-formylphenyl)-4,7-dioxoheptanoyl]benzaldehyde
CID 166643291
bis(4-methoxybutyl) benzene-1,2-dicarboxylate
CID 57031547

Frequently Asked Questions

What is the IUPAC name of [(Z)-6-trimethylsilylhex-3-en-5-ynyl] 2-formylbenzoate?
The IUPAC name of [(Z)-6-trimethylsilylhex-3-en-5-ynyl] 2-formylbenzoate (CID 101159321) is [(Z)-6-trimethylsilylhex-3-en-5-ynyl] 2-formylbenzoate.
What is the SMILES notation for [(Z)-6-trimethylsilylhex-3-en-5-ynyl] 2-formylbenzoate?
The canonical SMILES for [(Z)-6-trimethylsilylhex-3-en-5-ynyl] 2-formylbenzoate is C[Si](C)(C)C#C/C=C\CCOC(=O)c1ccccc1C=O.
What is the InChIKey of [(Z)-6-trimethylsilylhex-3-en-5-ynyl] 2-formylbenzoate?
The InChIKey is HXLSOPVARPNIDH-PLNGDYQASA-N. The full InChI is InChI=1S/C17H20O3Si/c1-21(2,3)13-9-5-4-8-12-20-17(19)16-11-7-6-10-15(16)14-18/h4-7,10-11,14H,8,12H2,1-3H3/b5-4-.
What are the key properties of [(Z)-6-trimethylsilylhex-3-en-5-ynyl] 2-formylbenzoate?
[(Z)-6-trimethylsilylhex-3-en-5-ynyl] 2-formylbenzoate has a molecular weight of 300.43 g/mol, XLogP of 3.48, 5 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for [(Z)-6-trimethylsilylhex-3-en-5-ynyl] 2-formylbenzoate is sourced from PubChem (CID 101159321), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).