(7R)-7-[tert-butyl(dimethyl)silyl]oxy-2,2,9-trimethylundeca-9,10-dienoic acid

C20H38O3Si — CID 150681110

IUPAC(7R)-7-[tert-butyl(dimethyl)silyl]oxy-2,2,9-trimethylundeca-9,10-dienoic acid
SMILESC=C=C(C)C[C@@H](CCCCC(C)(C)C(=O)O)O[Si](C)(C)C(C)(C)C
InChIInChI=1S/C20H38O3Si/c1-10-16(2)15-17(23-24(8,9)19(3,4)5)13-11-12-14-20(6,7)18(21)22/h17H,1,11-15H2,2-9H3,(H,21,22)/t17-/m1/s1
InChIKeyJHWUEUPVSZMQIT-QGZVFWFLSA-N
MW354.61 g/mol
LogP6.17
Rot. Bonds10

About (7R)-7-[tert-butyl(dimethyl)silyl]oxy-2,2,9-trimethylundeca-9,10-dienoic acid

(7R)-7-[tert-butyl(dimethyl)silyl]oxy-2,2,9-trimethylundeca-9,10-dienoic acid (PubChem CID 150681110) has the molecular formula C20H38O3Si and a molecular weight of 354.61 g/mol. Its IUPAC name is (7R)-7-[tert-butyl(dimethyl)silyl]oxy-2,2,9-trimethylundeca-9,10-dienoic acid.

Molecular Properties

Compound Name(7R)-7-[tert-butyl(dimethyl)silyl]oxy-2,2,9-trimethylundeca-9,10-dienoic acid
PubChem CID150681110
Molecular FormulaC20H38O3Si
Molecular Weight354.61 g/mol
Exact Mass354.26
IUPAC Name(7R)-7-[tert-butyl(dimethyl)silyl]oxy-2,2,9-trimethylundeca-9,10-dienoic acid
SMILESC=C=C(C)C[C@@H](CCCCC(C)(C)C(=O)O)O[Si](C)(C)C(C)(C)C
InChIInChI=1S/C20H38O3Si/c1-10-16(2)15-17(23-24(8,9)19(3,4)5)13-11-12-14-20(6,7)18(21)22/h17H,1,11-15H2,2-9H3,(H,21,22)/t17-/m1/s1
InChIKeyJHWUEUPVSZMQIT-QGZVFWFLSA-N
XLogP6.17
TPSA46.53 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds10
Heavy Atoms24
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500354.61
LogP ≤ 56.17
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

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Related Compounds

(5S,6S)-6,8-dimethyl-5-triethylsilyloxynon-8-enoic acid
CID 16069439
(5S)-6,8-dimethyl-5-triethylsilyloxynon-8-enoic acid
CID 134867138
7-[(1R,5S)-2-[3-[tert-butyl(dimethyl)silyl]oxyoctyl]-5-hydroxy-1-methylcyclopent-2-en-1-yl]heptanoic acid
CID 18636791
7-[(1R,5S)-2-[(3S)-3-[tert-butyl(dimethyl)silyl]oxyoctyl]-5-hydroxy-1-methylcyclopent-2-en-1-yl]heptanoic acid
CID 18636904
2-[8-[Tert-butyl(dimethyl)silyl]oxy-3-ethyl-4-methylidenenonan-3-yl]propanedioic acid
CID 88425860
(7S)-7-hydroxy-2,2,9-trimethylundeca-9,10-dienoic acid
CID 150660934
2-[(1R,6R)-6-[tert-butyl(dimethyl)silyl]oxy-1,3,3-trimethyl-2-methylidenecyclohexyl]acetic acid
CID 11301846
(5S,6S)-5-[tert-butyl(dimethyl)silyl]oxy-6,8-dimethylnon-8-enoic acid
CID 12000574
(2R,6R)-6-[tert-butyl(dimethyl)silyl]oxy-2-methyl-4-methylidenenonanoic acid
CID 53342052
Methyl 6-butyl-12-[tert-butyl(dimethyl)silyl]oxy-3,3-dimethyldodeca-6,7-dienoate
CID 101546965
(4R,6S,8R)-3-[tert-butyl(dimethyl)silyl]oxy-4,6,8,10-tetramethylundec-10-enoic acid
CID 102315319
(4S,6R,8S)-3-[tert-butyl(dimethyl)silyl]oxy-4,6,8,10-tetramethylundec-10-enoic acid
CID 177507542

Frequently Asked Questions

What is the IUPAC name of (7R)-7-[tert-butyl(dimethyl)silyl]oxy-2,2,9-trimethylundeca-9,10-dienoic acid?
The IUPAC name of (7R)-7-[tert-butyl(dimethyl)silyl]oxy-2,2,9-trimethylundeca-9,10-dienoic acid (CID 150681110) is (7R)-7-[tert-butyl(dimethyl)silyl]oxy-2,2,9-trimethylundeca-9,10-dienoic acid.
What is the SMILES notation for (7R)-7-[tert-butyl(dimethyl)silyl]oxy-2,2,9-trimethylundeca-9,10-dienoic acid?
The canonical SMILES for (7R)-7-[tert-butyl(dimethyl)silyl]oxy-2,2,9-trimethylundeca-9,10-dienoic acid is C=C=C(C)C[C@@H](CCCCC(C)(C)C(=O)O)O[Si](C)(C)C(C)(C)C.
What is the InChIKey of (7R)-7-[tert-butyl(dimethyl)silyl]oxy-2,2,9-trimethylundeca-9,10-dienoic acid?
The InChIKey is JHWUEUPVSZMQIT-QGZVFWFLSA-N. The full InChI is InChI=1S/C20H38O3Si/c1-10-16(2)15-17(23-24(8,9)19(3,4)5)13-11-12-14-20(6,7)18(21)22/h17H,1,11-15H2,2-9H3,(H,21,22)/t17-/m1/s1.
What are the key properties of (7R)-7-[tert-butyl(dimethyl)silyl]oxy-2,2,9-trimethylundeca-9,10-dienoic acid?
(7R)-7-[tert-butyl(dimethyl)silyl]oxy-2,2,9-trimethylundeca-9,10-dienoic acid has a molecular weight of 354.61 g/mol, XLogP of 6.17, 10 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for (7R)-7-[tert-butyl(dimethyl)silyl]oxy-2,2,9-trimethylundeca-9,10-dienoic acid is sourced from PubChem (CID 150681110), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).