[10-[tert-butyl(dimethyl)silyl]oxy-3,7,11-trimethyldodeca-2,6,11-trienyl] acetate

C23H42O3Si — CID 57060940

IUPAC[10-[tert-butyl(dimethyl)silyl]oxy-3,7,11-trimethyldodeca-2,6,11-trienyl] acetate
SMILESC=C(C)C(CCC(C)=CCCC(C)=CCOC(C)=O)O[Si](C)(C)C(C)(C)C
InChIInChI=1S/C23H42O3Si/c1-18(2)22(26-27(9,10)23(6,7)8)15-14-19(3)12-11-13-20(4)16-17-25-21(5)24/h12,16,22H,1,11,13-15,17H2,2-10H3
InChIKeyAWKUKUPGTIBTBT-UHFFFAOYSA-N
MW394.67 g/mol
LogP6.97
Rot. Bonds11

About [10-[tert-butyl(dimethyl)silyl]oxy-3,7,11-trimethyldodeca-2,6,11-trienyl] acetate

[10-[tert-butyl(dimethyl)silyl]oxy-3,7,11-trimethyldodeca-2,6,11-trienyl] acetate (PubChem CID 57060940) has the molecular formula C23H42O3Si and a molecular weight of 394.67 g/mol. Its IUPAC name is [10-[tert-butyl(dimethyl)silyl]oxy-3,7,11-trimethyldodeca-2,6,11-trienyl] acetate.

Molecular Properties

Compound Name[10-[tert-butyl(dimethyl)silyl]oxy-3,7,11-trimethyldodeca-2,6,11-trienyl] acetate
PubChem CID57060940
Molecular FormulaC23H42O3Si
Molecular Weight394.67 g/mol
Exact Mass394.29
IUPAC Name[10-[tert-butyl(dimethyl)silyl]oxy-3,7,11-trimethyldodeca-2,6,11-trienyl] acetate
SMILESC=C(C)C(CCC(C)=CCCC(C)=CCOC(C)=O)O[Si](C)(C)C(C)(C)C
InChIInChI=1S/C23H42O3Si/c1-18(2)22(26-27(9,10)23(6,7)8)15-14-19(3)12-11-13-20(4)16-17-25-21(5)24/h12,16,22H,1,11,13-15,17H2,2-10H3
InChIKeyAWKUKUPGTIBTBT-UHFFFAOYSA-N
XLogP6.97
TPSA35.53 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds11
Heavy Atoms27
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500394.67
LogP ≤ 56.97
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'heavy_metal', 'substructure': 'N/A'}, {'alert_name': 'isolated_alkene', 'substructure': 'N/A'}

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Related Compounds

[(2E,6E)-8-[tert-butyl(dimethyl)silyl]oxy-3,7-dimethylocta-2,6-dienyl] acetate
CID 13821292
[(2E,5E)-3-acetyloxy-2-[2-[tert-butyl(dimethyl)silyl]oxyethylidene]-6,10-dimethylundeca-5,9-dienyl] acetate
CID 134971110
(1S,4R)-1-Acetoxy-4-(tert-butyldimethylsilanyloxy)-2-cyclohexene
CID 10978542
[(E)-7-[tert-butyl(dimethyl)silyl]oxy-7-methyloct-5-enyl] acetate
CID 58918255
[(1S)-3-(3-trimethylsilylprop-1-en-2-yl)cyclopent-2-en-1-yl] acetate
CID 10966588
ethyl (E,5R)-5-[tert-butyl(dimethyl)silyl]oxyoct-2-enoate
CID 23642892
ethyl (2E,4S)-4-[tert-butyl(dimethyl)silyl]oxy-3-methylhepta-2,6-dienoate
CID 24881280
methyl (2E,4E,9R)-9-[tert-butyl(dimethyl)silyl]oxydeca-2,4-dienoate
CID 57327615
methyl (E)-3-propyl-4-triethylsilyloxydec-2-enoate
CID 71486540
ethyl (E,7R,8S)-7,8-bis[[tert-butyl(dimethyl)silyl]oxy]non-2-enoate
CID 101549967
[(2E)-2-[(2S,5R)-2-[tert-butyl(dimethyl)silyl]oxy-5-methylcyclopentylidene]ethyl] acetate
CID 101909751
[(E)-1-tri(propan-2-yl)silyloxyhex-4-en-3-yl] acetate
CID 102029881

Frequently Asked Questions

What is the IUPAC name of [10-[tert-butyl(dimethyl)silyl]oxy-3,7,11-trimethyldodeca-2,6,11-trienyl] acetate?
The IUPAC name of [10-[tert-butyl(dimethyl)silyl]oxy-3,7,11-trimethyldodeca-2,6,11-trienyl] acetate (CID 57060940) is [10-[tert-butyl(dimethyl)silyl]oxy-3,7,11-trimethyldodeca-2,6,11-trienyl] acetate.
What is the SMILES notation for [10-[tert-butyl(dimethyl)silyl]oxy-3,7,11-trimethyldodeca-2,6,11-trienyl] acetate?
The canonical SMILES for [10-[tert-butyl(dimethyl)silyl]oxy-3,7,11-trimethyldodeca-2,6,11-trienyl] acetate is C=C(C)C(CCC(C)=CCCC(C)=CCOC(C)=O)O[Si](C)(C)C(C)(C)C.
What is the InChIKey of [10-[tert-butyl(dimethyl)silyl]oxy-3,7,11-trimethyldodeca-2,6,11-trienyl] acetate?
The InChIKey is AWKUKUPGTIBTBT-UHFFFAOYSA-N. The full InChI is InChI=1S/C23H42O3Si/c1-18(2)22(26-27(9,10)23(6,7)8)15-14-19(3)12-11-13-20(4)16-17-25-21(5)24/h12,16,22H,1,11,13-15,17H2,2-10H3.
What are the key properties of [10-[tert-butyl(dimethyl)silyl]oxy-3,7,11-trimethyldodeca-2,6,11-trienyl] acetate?
[10-[tert-butyl(dimethyl)silyl]oxy-3,7,11-trimethyldodeca-2,6,11-trienyl] acetate has a molecular weight of 394.67 g/mol, XLogP of 6.97, 11 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for [10-[tert-butyl(dimethyl)silyl]oxy-3,7,11-trimethyldodeca-2,6,11-trienyl] acetate is sourced from PubChem (CID 57060940), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).