(2Z,4R,5R)-5-[tert-butyl(dimethyl)silyl]oxy-2,4-dimethylocta-2,7-dienoic acid

C16H30O3Si — CID 71816827

IUPAC(2Z,4R,5R)-5-[tert-butyl(dimethyl)silyl]oxy-2,4-dimethylocta-2,7-dienoic acid
SMILESC=CC[C@@H](O[Si](C)(C)C(C)(C)C)[C@H](C)/C=C(/C)C(=O)O
InChIInChI=1S/C16H30O3Si/c1-9-10-14(12(2)11-13(3)15(17)18)19-20(7,8)16(4,5)6/h9,11-12,14H,1,10H2,2-8H3,(H,17,18)/b13-11-/t12-,14-/m1/s1
InChIKeyLMNMPAIYOJOVJA-AQZADRIDSA-N
MW298.50 g/mol
LogP4.62
Rot. Bonds7

About (2Z,4R,5R)-5-[tert-butyl(dimethyl)silyl]oxy-2,4-dimethylocta-2,7-dienoic acid

(2Z,4R,5R)-5-[tert-butyl(dimethyl)silyl]oxy-2,4-dimethylocta-2,7-dienoic acid (PubChem CID 71816827) has the molecular formula C16H30O3Si and a molecular weight of 298.50 g/mol. Its IUPAC name is (2Z,4R,5R)-5-[tert-butyl(dimethyl)silyl]oxy-2,4-dimethylocta-2,7-dienoic acid.

Molecular Properties

Compound Name(2Z,4R,5R)-5-[tert-butyl(dimethyl)silyl]oxy-2,4-dimethylocta-2,7-dienoic acid
PubChem CID71816827
Molecular FormulaC16H30O3Si
Molecular Weight298.50 g/mol
Exact Mass298.20
IUPAC Name(2Z,4R,5R)-5-[tert-butyl(dimethyl)silyl]oxy-2,4-dimethylocta-2,7-dienoic acid
SMILESC=CC[C@@H](O[Si](C)(C)C(C)(C)C)[C@H](C)/C=C(/C)C(=O)O
InChIInChI=1S/C16H30O3Si/c1-9-10-14(12(2)11-13(3)15(17)18)19-20(7,8)16(4,5)6/h9,11-12,14H,1,10H2,2-8H3,(H,17,18)/b13-11-/t12-,14-/m1/s1
InChIKeyLMNMPAIYOJOVJA-AQZADRIDSA-N
XLogP4.62
TPSA46.53 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds7
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500298.50
LogP ≤ 54.62
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of (2Z,4R,5R)-5-[tert-butyl(dimethyl)silyl]oxy-2,4-dimethylocta-2,7-dienoic acid?
The IUPAC name of (2Z,4R,5R)-5-[tert-butyl(dimethyl)silyl]oxy-2,4-dimethylocta-2,7-dienoic acid (CID 71816827) is (2Z,4R,5R)-5-[tert-butyl(dimethyl)silyl]oxy-2,4-dimethylocta-2,7-dienoic acid.
What is the SMILES notation for (2Z,4R,5R)-5-[tert-butyl(dimethyl)silyl]oxy-2,4-dimethylocta-2,7-dienoic acid?
The canonical SMILES for (2Z,4R,5R)-5-[tert-butyl(dimethyl)silyl]oxy-2,4-dimethylocta-2,7-dienoic acid is C=CC[C@@H](O[Si](C)(C)C(C)(C)C)[C@H](C)/C=C(/C)C(=O)O.
What is the InChIKey of (2Z,4R,5R)-5-[tert-butyl(dimethyl)silyl]oxy-2,4-dimethylocta-2,7-dienoic acid?
The InChIKey is LMNMPAIYOJOVJA-AQZADRIDSA-N. The full InChI is InChI=1S/C16H30O3Si/c1-9-10-14(12(2)11-13(3)15(17)18)19-20(7,8)16(4,5)6/h9,11-12,14H,1,10H2,2-8H3,(H,17,18)/b13-11-/t12-,14-/m1/s1.
What are the key properties of (2Z,4R,5R)-5-[tert-butyl(dimethyl)silyl]oxy-2,4-dimethylocta-2,7-dienoic acid?
(2Z,4R,5R)-5-[tert-butyl(dimethyl)silyl]oxy-2,4-dimethylocta-2,7-dienoic acid has a molecular weight of 298.50 g/mol, XLogP of 4.62, 7 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for (2Z,4R,5R)-5-[tert-butyl(dimethyl)silyl]oxy-2,4-dimethylocta-2,7-dienoic acid is sourced from PubChem (CID 71816827), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).