[(6E,10E,14E)-2-[[tert-butyl(dimethyl)silyl]oxymethyl]-6,11,15,19-tetramethylicosa-1,6,10,14,18-pentaen-3-yl] acetate

C33H58O3Si — CID 10768565

IUPAC[(6E,10E,14E)-2-[[tert-butyl(dimethyl)silyl]oxymethyl]-6,11,15,19-tetramethylicosa-1,6,10,14,18-pentaen-3-yl] acetate
SMILESC=C(CO[Si](C)(C)C(C)(C)C)C(CC/C(C)=C/CC/C=C(\C)CC/C=C(\C)CCC=C(C)C)OC(C)=O
InChIInChI=1S/C33H58O3Si/c1-26(2)17-15-20-28(4)22-16-21-27(3)18-13-14-19-29(5)23-24-32(36-31(7)34)30(6)25-35-37(11,12)33(8,9)10/h17-19,22,32H,6,13-16,20-21,23-25H2,1-5,7-12H3/b27-18+,28-22+,29-19+
InChIKeyYDUVFWZBSBZAFQ-IEMZVZHKSA-N
MW530.91 g/mol
LogP10.42
Rot. Bonds17

About [(6E,10E,14E)-2-[[tert-butyl(dimethyl)silyl]oxymethyl]-6,11,15,19-tetramethylicosa-1,6,10,14,18-pentaen-3-yl] acetate

[(6E,10E,14E)-2-[[tert-butyl(dimethyl)silyl]oxymethyl]-6,11,15,19-tetramethylicosa-1,6,10,14,18-pentaen-3-yl] acetate (PubChem CID 10768565) has the molecular formula C33H58O3Si and a molecular weight of 530.91 g/mol. Its IUPAC name is [(6E,10E,14E)-2-[[tert-butyl(dimethyl)silyl]oxymethyl]-6,11,15,19-tetramethylicosa-1,6,10,14,18-pentaen-3-yl] acetate.

Molecular Properties

Compound Name[(6E,10E,14E)-2-[[tert-butyl(dimethyl)silyl]oxymethyl]-6,11,15,19-tetramethylicosa-1,6,10,14,18-pentaen-3-yl] acetate
PubChem CID10768565
Molecular FormulaC33H58O3Si
Molecular Weight530.91 g/mol
Exact Mass530.42
IUPAC Name[(6E,10E,14E)-2-[[tert-butyl(dimethyl)silyl]oxymethyl]-6,11,15,19-tetramethylicosa-1,6,10,14,18-pentaen-3-yl] acetate
SMILESC=C(CO[Si](C)(C)C(C)(C)C)C(CC/C(C)=C/CC/C=C(\C)CC/C=C(\C)CCC=C(C)C)OC(C)=O
InChIInChI=1S/C33H58O3Si/c1-26(2)17-15-20-28(4)22-16-21-27(3)18-13-14-19-29(5)23-24-32(36-31(7)34)30(6)25-35-37(11,12)33(8,9)10/h17-19,22,32H,6,13-16,20-21,23-25H2,1-5,7-12H3/b27-18+,28-22+,29-19+
InChIKeyYDUVFWZBSBZAFQ-IEMZVZHKSA-N
XLogP10.42
TPSA35.53 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds17
Heavy Atoms37
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500530.91
LogP ≤ 510.42
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'}

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Related Compounds

[(2E,5E)-3-acetyloxy-2-[2-[tert-butyl(dimethyl)silyl]oxyethylidene]-6,10-dimethylundeca-5,9-dienyl] acetate
CID 134971110
methyl (E)-3-propyl-4-triethylsilyloxydec-2-enoate
CID 71486540
methyl (Z)-4-[tert-butyl(dimethyl)silyl]oxy-3-methylnon-2-enoate
CID 134846818
ethyl (E)-7-[tert-butyl(dimethyl)silyl]oxy-3-methylhept-2-enoate
CID 135012258
[(3R)-8-[tert-butyl(dimethyl)silyl]oxyoct-1-en-3-yl] 2,2-dimethylpropanoate
CID 135079804
[(E,5S)-5-[tert-butyl(dimethyl)silyl]oxy-2-methylnon-3-en-2-yl] acetate
CID 139263528
(6R)-6-(Tert-butyldimethylsilyloxy)-8-pivaloyloxy-2-methyloct-2-ene
CID 101618229
[[Tert-butyl(dimethyl)silyl]-(cyclohexen-1-yl)methyl] propanoate
CID 14309684
Ethyl 2-[5-[tert-butyl(dimethyl)silyl]oxycyclooctylidene]acetate
CID 22319904
[[Tert-butyl(dimethyl)silyl]-(cyclohexen-1-yl)methyl] acetate
CID 54443091
[(4R,6S)-4,6-bis[[tert-butyl(dimethyl)silyl]oxy]cyclohexen-1-yl]methyl acetate
CID 57016053
Propan-2-yl 10-[tert-butyl(dimethyl)silyl]oxy-3,7,11-trimethyldodeca-2,6,11-trienoate
CID 57048060

Frequently Asked Questions

What is the IUPAC name of [(6E,10E,14E)-2-[[tert-butyl(dimethyl)silyl]oxymethyl]-6,11,15,19-tetramethylicosa-1,6,10,14,18-pentaen-3-yl] acetate?
The IUPAC name of [(6E,10E,14E)-2-[[tert-butyl(dimethyl)silyl]oxymethyl]-6,11,15,19-tetramethylicosa-1,6,10,14,18-pentaen-3-yl] acetate (CID 10768565) is [(6E,10E,14E)-2-[[tert-butyl(dimethyl)silyl]oxymethyl]-6,11,15,19-tetramethylicosa-1,6,10,14,18-pentaen-3-yl] acetate.
What is the SMILES notation for [(6E,10E,14E)-2-[[tert-butyl(dimethyl)silyl]oxymethyl]-6,11,15,19-tetramethylicosa-1,6,10,14,18-pentaen-3-yl] acetate?
The canonical SMILES for [(6E,10E,14E)-2-[[tert-butyl(dimethyl)silyl]oxymethyl]-6,11,15,19-tetramethylicosa-1,6,10,14,18-pentaen-3-yl] acetate is C=C(CO[Si](C)(C)C(C)(C)C)C(CC/C(C)=C/CC/C=C(\C)CC/C=C(\C)CCC=C(C)C)OC(C)=O.
What is the InChIKey of [(6E,10E,14E)-2-[[tert-butyl(dimethyl)silyl]oxymethyl]-6,11,15,19-tetramethylicosa-1,6,10,14,18-pentaen-3-yl] acetate?
The InChIKey is YDUVFWZBSBZAFQ-IEMZVZHKSA-N. The full InChI is InChI=1S/C33H58O3Si/c1-26(2)17-15-20-28(4)22-16-21-27(3)18-13-14-19-29(5)23-24-32(36-31(7)34)30(6)25-35-37(11,12)33(8,9)10/h17-19,22,32H,6,13-16,20-21,23-25H2,1-5,7-12H3/b27-18+,28-22+,29-19+.
What are the key properties of [(6E,10E,14E)-2-[[tert-butyl(dimethyl)silyl]oxymethyl]-6,11,15,19-tetramethylicosa-1,6,10,14,18-pentaen-3-yl] acetate?
[(6E,10E,14E)-2-[[tert-butyl(dimethyl)silyl]oxymethyl]-6,11,15,19-tetramethylicosa-1,6,10,14,18-pentaen-3-yl] acetate has a molecular weight of 530.91 g/mol, XLogP of 10.42, 17 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for [(6E,10E,14E)-2-[[tert-butyl(dimethyl)silyl]oxymethyl]-6,11,15,19-tetramethylicosa-1,6,10,14,18-pentaen-3-yl] acetate is sourced from PubChem (CID 10768565), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).