[(E)-1-trimethylsilyloct-2-enyl] acetate

C13H26O2Si — CID 135047835

IUPAC[(E)-1-trimethylsilyloct-2-enyl] acetate
SMILESCCCCC/C=C/C(OC(C)=O)[Si](C)(C)C
InChIInChI=1S/C13H26O2Si/c1-6-7-8-9-10-11-13(15-12(2)14)16(3,4)5/h10-11,13H,6-9H2,1-5H3/b11-10+
InChIKeyKCWYAQUFCPYHKN-ZHACJKMWSA-N
MW242.43 g/mol
LogP3.93
Rot. Bonds7

About [(E)-1-trimethylsilyloct-2-enyl] acetate

[(E)-1-trimethylsilyloct-2-enyl] acetate (PubChem CID 135047835) has the molecular formula C13H26O2Si and a molecular weight of 242.43 g/mol. Its IUPAC name is [(E)-1-trimethylsilyloct-2-enyl] acetate.

Molecular Properties

Compound Name[(E)-1-trimethylsilyloct-2-enyl] acetate
PubChem CID135047835
Molecular FormulaC13H26O2Si
Molecular Weight242.43 g/mol
Exact Mass242.17
IUPAC Name[(E)-1-trimethylsilyloct-2-enyl] acetate
SMILESCCCCC/C=C/C(OC(C)=O)[Si](C)(C)C
InChIInChI=1S/C13H26O2Si/c1-6-7-8-9-10-11-13(15-12(2)14)16(3,4)5/h10-11,13H,6-9H2,1-5H3/b11-10+
InChIKeyKCWYAQUFCPYHKN-ZHACJKMWSA-N
XLogP3.93
TPSA26.30 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds7
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500242.43
LogP ≤ 53.93
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

2-Heptenyl acetate, (2E)-
CID 5363203
2-Octen-1-yl acetate, (2E)-
CID 5463875
Nonadienyl acetate, (2E,6Z)-
CID 5363120
Oct-2-enyl acetate
CID 102248
2-Nonenyl acetate, (2E)-
CID 6365451
2,7-Octadien-1-ol, acetate
CID 5363376
2-Decenyl acetate
CID 86882
2-Undecen-1-ol, 1-acetate
CID 110372
2-Octenyl acetate
CID 12807117
Acetic acid trans-2-decen-1-YL ester
CID 5363207
2-Tridecen-1-ol, 1-acetate
CID 110371
2-Tridecen-1-ol, acetate
CID 6437544

Frequently Asked Questions

What is the IUPAC name of [(E)-1-trimethylsilyloct-2-enyl] acetate?
The IUPAC name of [(E)-1-trimethylsilyloct-2-enyl] acetate (CID 135047835) is [(E)-1-trimethylsilyloct-2-enyl] acetate.
What is the SMILES notation for [(E)-1-trimethylsilyloct-2-enyl] acetate?
The canonical SMILES for [(E)-1-trimethylsilyloct-2-enyl] acetate is CCCCC/C=C/C(OC(C)=O)[Si](C)(C)C.
What is the InChIKey of [(E)-1-trimethylsilyloct-2-enyl] acetate?
The InChIKey is KCWYAQUFCPYHKN-ZHACJKMWSA-N. The full InChI is InChI=1S/C13H26O2Si/c1-6-7-8-9-10-11-13(15-12(2)14)16(3,4)5/h10-11,13H,6-9H2,1-5H3/b11-10+.
What are the key properties of [(E)-1-trimethylsilyloct-2-enyl] acetate?
[(E)-1-trimethylsilyloct-2-enyl] acetate has a molecular weight of 242.43 g/mol, XLogP of 3.93, 7 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for [(E)-1-trimethylsilyloct-2-enyl] acetate is sourced from PubChem (CID 135047835), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).