[(6S,7R)-6-methyl-7-(2-trimethylsilylethoxymethoxy)oct-1-en-4-yl] acetate

C17H34O4Si — CID 10616454

IUPAC[(6S,7R)-6-methyl-7-(2-trimethylsilylethoxymethoxy)oct-1-en-4-yl] acetate
SMILESC=CCC(C[C@H](C)[C@@H](C)OCOCC[Si](C)(C)C)OC(C)=O
InChIInChI=1S/C17H34O4Si/c1-8-9-17(21-16(4)18)12-14(2)15(3)20-13-19-10-11-22(5,6)7/h8,14-15,17H,1,9-13H2,2-7H3/t14-,15+,17?/m0/s1
InChIKeyDROMGDNIQWZSFI-BTPDTDQASA-N
MW330.54 g/mol
LogP4.24
Rot. Bonds12

About [(6S,7R)-6-methyl-7-(2-trimethylsilylethoxymethoxy)oct-1-en-4-yl] acetate

[(6S,7R)-6-methyl-7-(2-trimethylsilylethoxymethoxy)oct-1-en-4-yl] acetate (PubChem CID 10616454) has the molecular formula C17H34O4Si and a molecular weight of 330.54 g/mol. Its IUPAC name is [(6S,7R)-6-methyl-7-(2-trimethylsilylethoxymethoxy)oct-1-en-4-yl] acetate.

Molecular Properties

Compound Name[(6S,7R)-6-methyl-7-(2-trimethylsilylethoxymethoxy)oct-1-en-4-yl] acetate
PubChem CID10616454
Molecular FormulaC17H34O4Si
Molecular Weight330.54 g/mol
Exact Mass330.22
IUPAC Name[(6S,7R)-6-methyl-7-(2-trimethylsilylethoxymethoxy)oct-1-en-4-yl] acetate
SMILESC=CCC(C[C@H](C)[C@@H](C)OCOCC[Si](C)(C)C)OC(C)=O
InChIInChI=1S/C17H34O4Si/c1-8-9-17(21-16(4)18)12-14(2)15(3)20-13-19-10-11-22(5,6)7/h8,14-15,17H,1,9-13H2,2-7H3/t14-,15+,17?/m0/s1
InChIKeyDROMGDNIQWZSFI-BTPDTDQASA-N
XLogP4.24
TPSA44.76 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds12
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500330.54
LogP ≤ 54.24
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}, {'alert_name': 'heavy_metal', 'substructure': 'N/A'}, {'alert_name': 'het-C-het_not_in_ring', 'substructure': 'N/A'}, {'alert_name': 'isolated_alkene', 'substructure': 'N/A'}

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Related Compounds

(2R)-2-(2-trimethylsilylethoxymethoxy)propanoic acid
CID 10775311
[(2R,3S,4R)-2,3,4,6-tetraacetyloxynon-8-enyl] acetate
CID 15690705
[(2R)-pent-4-en-2-yl] acetate
CID 11040717
3-methyl-2-(2-trimethylsilylethoxymethoxy)butanal
CID 22599556
2-(2-methoxyethoxymethoxy)pent-4-en-1-ol
CID 74389573
ethyl 3-(2-trimethylsilylethoxymethoxy)butanoate
CID 71336008
[(2R)-pent-4-en-2-yl] 3-chloro-2,4-dimethyl-6-(2-trimethylsilylethoxymethoxy)benzoate
CID 59743070
[(3R,5Z,7R)-7-(2-trimethylsilylethoxymethoxy)octa-1,5-dien-3-yl] 2-phenylmethoxyacetate
CID 100931159
trimethyl-[2-[[(E,2S)-5-trichlorostannylpent-3-en-2-yl]oxymethoxy]ethyl]silane
CID 10527061
(2S)-2-[[(2R)-3-methyl-2-(2-trimethylsilylethoxymethoxy)butyl]amino]propanoic acid
CID 87972756
1-oct-1-en-6-yn-4-yloxyethyl acetate
CID 10878420
(1-prop-2-enoxy-3-sulfanylpropan-2-yl) acetate
CID 122381488

Frequently Asked Questions

What is the IUPAC name of [(6S,7R)-6-methyl-7-(2-trimethylsilylethoxymethoxy)oct-1-en-4-yl] acetate?
The IUPAC name of [(6S,7R)-6-methyl-7-(2-trimethylsilylethoxymethoxy)oct-1-en-4-yl] acetate (CID 10616454) is [(6S,7R)-6-methyl-7-(2-trimethylsilylethoxymethoxy)oct-1-en-4-yl] acetate.
What is the SMILES notation for [(6S,7R)-6-methyl-7-(2-trimethylsilylethoxymethoxy)oct-1-en-4-yl] acetate?
The canonical SMILES for [(6S,7R)-6-methyl-7-(2-trimethylsilylethoxymethoxy)oct-1-en-4-yl] acetate is C=CCC(C[C@H](C)[C@@H](C)OCOCC[Si](C)(C)C)OC(C)=O.
What is the InChIKey of [(6S,7R)-6-methyl-7-(2-trimethylsilylethoxymethoxy)oct-1-en-4-yl] acetate?
The InChIKey is DROMGDNIQWZSFI-BTPDTDQASA-N. The full InChI is InChI=1S/C17H34O4Si/c1-8-9-17(21-16(4)18)12-14(2)15(3)20-13-19-10-11-22(5,6)7/h8,14-15,17H,1,9-13H2,2-7H3/t14-,15+,17?/m0/s1.
What are the key properties of [(6S,7R)-6-methyl-7-(2-trimethylsilylethoxymethoxy)oct-1-en-4-yl] acetate?
[(6S,7R)-6-methyl-7-(2-trimethylsilylethoxymethoxy)oct-1-en-4-yl] acetate has a molecular weight of 330.54 g/mol, XLogP of 4.24, 12 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for [(6S,7R)-6-methyl-7-(2-trimethylsilylethoxymethoxy)oct-1-en-4-yl] acetate is sourced from PubChem (CID 10616454), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).