(2Z,4E,6R,9R)-9-[tert-butyl(dimethyl)silyl]oxy-6-(methoxymethoxy)deca-2,4-dienoic acid

C18H34O5Si — CID 90004663

IUPAC(2Z,4E,6R,9R)-9-[tert-butyl(dimethyl)silyl]oxy-6-(methoxymethoxy)deca-2,4-dienoic acid
SMILESCOCO[C@@H](/C=C/C=C\C(=O)O)CC[C@@H](C)O[Si](C)(C)C(C)(C)C
InChIInChI=1S/C18H34O5Si/c1-15(23-24(6,7)18(2,3)4)12-13-16(22-14-21-5)10-8-9-11-17(19)20/h8-11,15-16H,12-14H2,1-7H3,(H,19,20)/b10-8+,11-9-/t15-,16+/m1/s1
InChIKeyUUEUEOBYLMTLOJ-RWEUXVQWSA-N
MW358.55 g/mol
LogP4.36
Rot. Bonds11

About (2Z,4E,6R,9R)-9-[tert-butyl(dimethyl)silyl]oxy-6-(methoxymethoxy)deca-2,4-dienoic acid

(2Z,4E,6R,9R)-9-[tert-butyl(dimethyl)silyl]oxy-6-(methoxymethoxy)deca-2,4-dienoic acid (PubChem CID 90004663) has the molecular formula C18H34O5Si and a molecular weight of 358.55 g/mol. Its IUPAC name is (2Z,4E,6R,9R)-9-[tert-butyl(dimethyl)silyl]oxy-6-(methoxymethoxy)deca-2,4-dienoic acid.

Molecular Properties

Compound Name(2Z,4E,6R,9R)-9-[tert-butyl(dimethyl)silyl]oxy-6-(methoxymethoxy)deca-2,4-dienoic acid
PubChem CID90004663
Molecular FormulaC18H34O5Si
Molecular Weight358.55 g/mol
Exact Mass358.22
IUPAC Name(2Z,4E,6R,9R)-9-[tert-butyl(dimethyl)silyl]oxy-6-(methoxymethoxy)deca-2,4-dienoic acid
SMILESCOCO[C@@H](/C=C/C=C\C(=O)O)CC[C@@H](C)O[Si](C)(C)C(C)(C)C
InChIInChI=1S/C18H34O5Si/c1-15(23-24(6,7)18(2,3)4)12-13-16(22-14-21-5)10-8-9-11-17(19)20/h8-11,15-16H,12-14H2,1-7H3,(H,19,20)/b10-8+,11-9-/t15-,16+/m1/s1
InChIKeyUUEUEOBYLMTLOJ-RWEUXVQWSA-N
XLogP4.36
TPSA64.99 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds11
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500358.55
LogP ≤ 54.36
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'heavy_metal', 'substructure': 'N/A'}, {'alert_name': 'het-C-het_not_in_ring', 'substructure': 'N/A'}, {'alert_name': 'Michael_acceptor_1', 'substructure': 'N/A'}, {'alert_name': 'polyene', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of (2Z,4E,6R,9R)-9-[tert-butyl(dimethyl)silyl]oxy-6-(methoxymethoxy)deca-2,4-dienoic acid?
The IUPAC name of (2Z,4E,6R,9R)-9-[tert-butyl(dimethyl)silyl]oxy-6-(methoxymethoxy)deca-2,4-dienoic acid (CID 90004663) is (2Z,4E,6R,9R)-9-[tert-butyl(dimethyl)silyl]oxy-6-(methoxymethoxy)deca-2,4-dienoic acid.
What is the SMILES notation for (2Z,4E,6R,9R)-9-[tert-butyl(dimethyl)silyl]oxy-6-(methoxymethoxy)deca-2,4-dienoic acid?
The canonical SMILES for (2Z,4E,6R,9R)-9-[tert-butyl(dimethyl)silyl]oxy-6-(methoxymethoxy)deca-2,4-dienoic acid is COCO[C@@H](/C=C/C=C\C(=O)O)CC[C@@H](C)O[Si](C)(C)C(C)(C)C.
What is the InChIKey of (2Z,4E,6R,9R)-9-[tert-butyl(dimethyl)silyl]oxy-6-(methoxymethoxy)deca-2,4-dienoic acid?
The InChIKey is UUEUEOBYLMTLOJ-RWEUXVQWSA-N. The full InChI is InChI=1S/C18H34O5Si/c1-15(23-24(6,7)18(2,3)4)12-13-16(22-14-21-5)10-8-9-11-17(19)20/h8-11,15-16H,12-14H2,1-7H3,(H,19,20)/b10-8+,11-9-/t15-,16+/m1/s1.
What are the key properties of (2Z,4E,6R,9R)-9-[tert-butyl(dimethyl)silyl]oxy-6-(methoxymethoxy)deca-2,4-dienoic acid?
(2Z,4E,6R,9R)-9-[tert-butyl(dimethyl)silyl]oxy-6-(methoxymethoxy)deca-2,4-dienoic acid has a molecular weight of 358.55 g/mol, XLogP of 4.36, 11 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for (2Z,4E,6R,9R)-9-[tert-butyl(dimethyl)silyl]oxy-6-(methoxymethoxy)deca-2,4-dienoic acid is sourced from PubChem (CID 90004663), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).