hex-5-enyl (6E,8E)-5-[tert-butyl(dimethyl)silyl]oxydeca-6,8-dien-2-ynoate

C22H36O3Si — CID 59721600

IUPAChex-5-enyl (6E,8E)-5-[tert-butyl(dimethyl)silyl]oxydeca-6,8-dien-2-ynoate
SMILESC=CCCCCOC(=O)C#CCC(/C=C/C=C/C)O[Si](C)(C)C(C)(C)C
InChIInChI=1S/C22H36O3Si/c1-8-10-12-14-19-24-21(23)18-15-17-20(16-13-11-9-2)25-26(6,7)22(3,4)5/h8-9,11,13,16,20H,1,10,12,14,17,19H2,2-7H3/b11-9+,16-13+
InChIKeyHKHGGTWIKVFPHE-BNUVGFPPSA-N
MW376.61 g/mol
LogP5.80
Rot. Bonds10

About hex-5-enyl (6E,8E)-5-[tert-butyl(dimethyl)silyl]oxydeca-6,8-dien-2-ynoate

hex-5-enyl (6E,8E)-5-[tert-butyl(dimethyl)silyl]oxydeca-6,8-dien-2-ynoate (PubChem CID 59721600) has the molecular formula C22H36O3Si and a molecular weight of 376.61 g/mol. Its IUPAC name is hex-5-enyl (6E,8E)-5-[tert-butyl(dimethyl)silyl]oxydeca-6,8-dien-2-ynoate.

Molecular Properties

Compound Namehex-5-enyl (6E,8E)-5-[tert-butyl(dimethyl)silyl]oxydeca-6,8-dien-2-ynoate
PubChem CID59721600
Molecular FormulaC22H36O3Si
Molecular Weight376.61 g/mol
Exact Mass376.24
IUPAC Namehex-5-enyl (6E,8E)-5-[tert-butyl(dimethyl)silyl]oxydeca-6,8-dien-2-ynoate
SMILESC=CCCCCOC(=O)C#CCC(/C=C/C=C/C)O[Si](C)(C)C(C)(C)C
InChIInChI=1S/C22H36O3Si/c1-8-10-12-14-19-24-21(23)18-15-17-20(16-13-11-9-2)25-26(6,7)22(3,4)5/h8-9,11,13,16,20H,1,10,12,14,17,19H2,2-7H3/b11-9+,16-13+
InChIKeyHKHGGTWIKVFPHE-BNUVGFPPSA-N
XLogP5.80
TPSA35.53 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds10
Heavy Atoms26
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500376.61
LogP ≤ 55.80
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': 'Michael_acceptor_5', 'substructure': 'N/A'}, {'alert_name': 'polyene', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of hex-5-enyl (6E,8E)-5-[tert-butyl(dimethyl)silyl]oxydeca-6,8-dien-2-ynoate?
The IUPAC name of hex-5-enyl (6E,8E)-5-[tert-butyl(dimethyl)silyl]oxydeca-6,8-dien-2-ynoate (CID 59721600) is hex-5-enyl (6E,8E)-5-[tert-butyl(dimethyl)silyl]oxydeca-6,8-dien-2-ynoate.
What is the SMILES notation for hex-5-enyl (6E,8E)-5-[tert-butyl(dimethyl)silyl]oxydeca-6,8-dien-2-ynoate?
The canonical SMILES for hex-5-enyl (6E,8E)-5-[tert-butyl(dimethyl)silyl]oxydeca-6,8-dien-2-ynoate is C=CCCCCOC(=O)C#CCC(/C=C/C=C/C)O[Si](C)(C)C(C)(C)C.
What is the InChIKey of hex-5-enyl (6E,8E)-5-[tert-butyl(dimethyl)silyl]oxydeca-6,8-dien-2-ynoate?
The InChIKey is HKHGGTWIKVFPHE-BNUVGFPPSA-N. The full InChI is InChI=1S/C22H36O3Si/c1-8-10-12-14-19-24-21(23)18-15-17-20(16-13-11-9-2)25-26(6,7)22(3,4)5/h8-9,11,13,16,20H,1,10,12,14,17,19H2,2-7H3/b11-9+,16-13+.
What are the key properties of hex-5-enyl (6E,8E)-5-[tert-butyl(dimethyl)silyl]oxydeca-6,8-dien-2-ynoate?
hex-5-enyl (6E,8E)-5-[tert-butyl(dimethyl)silyl]oxydeca-6,8-dien-2-ynoate has a molecular weight of 376.61 g/mol, XLogP of 5.80, 10 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for hex-5-enyl (6E,8E)-5-[tert-butyl(dimethyl)silyl]oxydeca-6,8-dien-2-ynoate is sourced from PubChem (CID 59721600), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).