(2Z,4E,7S)-7-[tert-butyl(dimethyl)silyl]oxy-5-methylocta-2,4-dienoic acid

C15H28O3Si — CID 134965983

IUPAC(2Z,4E,7S)-7-[tert-butyl(dimethyl)silyl]oxy-5-methylocta-2,4-dienoic acid
SMILESC/C(=C\C=C/C(=O)O)C[C@H](C)O[Si](C)(C)C(C)(C)C
InChIInChI=1S/C15H28O3Si/c1-12(9-8-10-14(16)17)11-13(2)18-19(6,7)15(3,4)5/h8-10,13H,11H2,1-7H3,(H,16,17)/b10-8-,12-9+/t13-/m0/s1
InChIKeyUZUORFHOOITLIA-ZHGCYPHOSA-N
MW284.47 g/mol
LogP4.37
Rot. Bonds6

About (2Z,4E,7S)-7-[tert-butyl(dimethyl)silyl]oxy-5-methylocta-2,4-dienoic acid

(2Z,4E,7S)-7-[tert-butyl(dimethyl)silyl]oxy-5-methylocta-2,4-dienoic acid (PubChem CID 134965983) has the molecular formula C15H28O3Si and a molecular weight of 284.47 g/mol. Its IUPAC name is (2Z,4E,7S)-7-[tert-butyl(dimethyl)silyl]oxy-5-methylocta-2,4-dienoic acid.

Molecular Properties

Compound Name(2Z,4E,7S)-7-[tert-butyl(dimethyl)silyl]oxy-5-methylocta-2,4-dienoic acid
PubChem CID134965983
Molecular FormulaC15H28O3Si
Molecular Weight284.47 g/mol
Exact Mass284.18
IUPAC Name(2Z,4E,7S)-7-[tert-butyl(dimethyl)silyl]oxy-5-methylocta-2,4-dienoic acid
SMILESC/C(=C\C=C/C(=O)O)C[C@H](C)O[Si](C)(C)C(C)(C)C
InChIInChI=1S/C15H28O3Si/c1-12(9-8-10-14(16)17)11-13(2)18-19(6,7)15(3,4)5/h8-10,13H,11H2,1-7H3,(H,16,17)/b10-8-,12-9+/t13-/m0/s1
InChIKeyUZUORFHOOITLIA-ZHGCYPHOSA-N
XLogP4.37
TPSA46.53 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds6
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500284.47
LogP ≤ 54.37
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'heavy_metal', 'substructure': 'N/A'}, {'alert_name': 'Michael_acceptor_1', 'substructure': 'N/A'}, {'alert_name': 'polyene', 'substructure': 'N/A'}

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Related Compounds

(13s,2e,4e,9e,11e)-13-t-Butyldimethylsilyloxy-2,4,9,11-tetradecatetraenoic acid
CID 129706294
(E)-5-[tert-butyl(dimethyl)silyl]oxyhex-2-enoic acid
CID 12723171
(R,E)-5-((tert-butyldimethylsilyl)oxy)hex-2-enoic acid
CID 10955805
(S,E)-5-((tert-butyldimethylsilyl)oxy)hex-2-enoic acid
CID 11149233
(Z)-7-[tert-butyl(dimethyl)silyl]oxyhept-2-enoic acid
CID 11379902
(2E,4Z)-7-[tert-butyl(dimethyl)silyl]oxy-5-methylnona-2,4,8-trienoic acid
CID 11449346
(2E,4E,7S,8E,10E,14S)-8,14-dimethyl-7-triethylsilyloxyhexadeca-2,4,8,10-tetraenoic acid
CID 15297449
(2E,7S)-7-tri(propan-2-yl)silyloxynona-2,8-dienoic acid
CID 46849960
(2Z,4R,5R)-5-[tert-butyl(dimethyl)silyl]oxy-2,4-dimethylocta-2,7-dienoic acid
CID 71816827
(2Z,4R,5S)-5-[tert-butyl(dimethyl)silyl]oxy-3,4-dimethylhepta-2,6-dienoic acid
CID 101955136
(2E,4S,5S)-5-[tert-butyl(dimethyl)silyl]oxy-4-methylhepta-2,6-dienoic acid
CID 135030564
(2E,4R,5S)-5-[tert-butyl(dimethyl)silyl]oxy-3,4-dimethylhepta-2,6-dienoic acid
CID 135040818

Frequently Asked Questions

What is the IUPAC name of (2Z,4E,7S)-7-[tert-butyl(dimethyl)silyl]oxy-5-methylocta-2,4-dienoic acid?
The IUPAC name of (2Z,4E,7S)-7-[tert-butyl(dimethyl)silyl]oxy-5-methylocta-2,4-dienoic acid (CID 134965983) is (2Z,4E,7S)-7-[tert-butyl(dimethyl)silyl]oxy-5-methylocta-2,4-dienoic acid.
What is the SMILES notation for (2Z,4E,7S)-7-[tert-butyl(dimethyl)silyl]oxy-5-methylocta-2,4-dienoic acid?
The canonical SMILES for (2Z,4E,7S)-7-[tert-butyl(dimethyl)silyl]oxy-5-methylocta-2,4-dienoic acid is C/C(=C\C=C/C(=O)O)C[C@H](C)O[Si](C)(C)C(C)(C)C.
What is the InChIKey of (2Z,4E,7S)-7-[tert-butyl(dimethyl)silyl]oxy-5-methylocta-2,4-dienoic acid?
The InChIKey is UZUORFHOOITLIA-ZHGCYPHOSA-N. The full InChI is InChI=1S/C15H28O3Si/c1-12(9-8-10-14(16)17)11-13(2)18-19(6,7)15(3,4)5/h8-10,13H,11H2,1-7H3,(H,16,17)/b10-8-,12-9+/t13-/m0/s1.
What are the key properties of (2Z,4E,7S)-7-[tert-butyl(dimethyl)silyl]oxy-5-methylocta-2,4-dienoic acid?
(2Z,4E,7S)-7-[tert-butyl(dimethyl)silyl]oxy-5-methylocta-2,4-dienoic acid has a molecular weight of 284.47 g/mol, XLogP of 4.37, 6 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for (2Z,4E,7S)-7-[tert-butyl(dimethyl)silyl]oxy-5-methylocta-2,4-dienoic acid is sourced from PubChem (CID 134965983), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).