[(E)-2-(trimethylsilylmethyl)oct-2-enyl] acetate

C14H28O2Si — CID 10332659

IUPAC[(E)-2-(trimethylsilylmethyl)oct-2-enyl] acetate
SMILESCCCCC/C=C(\COC(C)=O)C[Si](C)(C)C
InChIInChI=1S/C14H28O2Si/c1-6-7-8-9-10-14(11-16-13(2)15)12-17(3,4)5/h10H,6-9,11-12H2,1-5H3/b14-10+
InChIKeyMOQYNYZZHOHJQH-GXDHUFHOSA-N
MW256.46 g/mol
LogP4.39
Rot. Bonds8

About [(E)-2-(trimethylsilylmethyl)oct-2-enyl] acetate

[(E)-2-(trimethylsilylmethyl)oct-2-enyl] acetate (PubChem CID 10332659) has the molecular formula C14H28O2Si and a molecular weight of 256.46 g/mol. Its IUPAC name is [(E)-2-(trimethylsilylmethyl)oct-2-enyl] acetate.

Molecular Properties

Compound Name[(E)-2-(trimethylsilylmethyl)oct-2-enyl] acetate
PubChem CID10332659
Molecular FormulaC14H28O2Si
Molecular Weight256.46 g/mol
Exact Mass256.19
IUPAC Name[(E)-2-(trimethylsilylmethyl)oct-2-enyl] acetate
SMILESCCCCC/C=C(\COC(C)=O)C[Si](C)(C)C
InChIInChI=1S/C14H28O2Si/c1-6-7-8-9-10-14(11-16-13(2)15)12-17(3,4)5/h10H,6-9,11-12H2,1-5H3/b14-10+
InChIKeyMOQYNYZZHOHJQH-GXDHUFHOSA-N
XLogP4.39
TPSA26.30 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds8
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500256.46
LogP ≤ 54.39
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

Geranyl Acetate
CID 1549026
Neryl acetate
CID 1549025
Neryl propionate
CID 5365982
Geranyl propionate
CID 5355853
Farnesyl acetate
CID 94403
trans,trans-Farnesyl acetate
CID 638500
3,7-Dimethylocta-2,6-dienyl acetate
CID 7780
Farnesyl acetate, (2Z,6E)-
CID 1551480
2-Hexen-1-ol, 3-methyl-, 1-acetate
CID 22342475
2,6-Octadien-1-ol, 3,7-dimethyl-, 1-propanoate
CID 7782
Farnesyl acetate, (2Z,6Z)-
CID 1551479
(Z)-3,7-Dimethyl-2,7-octadienyl propionate
CID 5365067

Frequently Asked Questions

What is the IUPAC name of [(E)-2-(trimethylsilylmethyl)oct-2-enyl] acetate?
The IUPAC name of [(E)-2-(trimethylsilylmethyl)oct-2-enyl] acetate (CID 10332659) is [(E)-2-(trimethylsilylmethyl)oct-2-enyl] acetate.
What is the SMILES notation for [(E)-2-(trimethylsilylmethyl)oct-2-enyl] acetate?
The canonical SMILES for [(E)-2-(trimethylsilylmethyl)oct-2-enyl] acetate is CCCCC/C=C(\COC(C)=O)C[Si](C)(C)C.
What is the InChIKey of [(E)-2-(trimethylsilylmethyl)oct-2-enyl] acetate?
The InChIKey is MOQYNYZZHOHJQH-GXDHUFHOSA-N. The full InChI is InChI=1S/C14H28O2Si/c1-6-7-8-9-10-14(11-16-13(2)15)12-17(3,4)5/h10H,6-9,11-12H2,1-5H3/b14-10+.
What are the key properties of [(E)-2-(trimethylsilylmethyl)oct-2-enyl] acetate?
[(E)-2-(trimethylsilylmethyl)oct-2-enyl] acetate has a molecular weight of 256.46 g/mol, XLogP of 4.39, 8 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for [(E)-2-(trimethylsilylmethyl)oct-2-enyl] acetate is sourced from PubChem (CID 10332659), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).