(2Z,4E)-6-[tert-butyl(dimethyl)silyl]oxy-6-[(5R)-5-[2-[tert-butyl(dimethyl)silyl]oxypropan-2-yl]-2-methyloxolan-2-yl]-3-methylhexa-2,4-dienoic acid

C27H52O5Si2 — CID 135024281

IUPAC(2Z,4E)-6-[tert-butyl(dimethyl)silyl]oxy-6-[(5R)-5-[2-[tert-butyl(dimethyl)silyl]oxypropan-2-yl]-2-methyloxolan-2-yl]-3-methylhexa-2,4-dienoic acid
SMILESCC(=C/C(=O)O)/C=C/C(O[Si](C)(C)C(C)(C)C)C1(C)CC[C@H](C(C)(C)O[Si](C)(C)C(C)(C)C)O1
InChIInChI=1S/C27H52O5Si2/c1-20(19-23(28)29)15-16-22(31-33(11,12)24(2,3)4)27(10)18-17-21(30-27)26(8,9)32-34(13,14)25(5,6)7/h15-16,19,21-22H,17-18H2,1-14H3,(H,28,29)/b16-15+,20-19-/t21-,22?,27?/m1/s1
InChIKeyBDANKROBTZZDDF-JGVFCAENSA-N
MW512.88 g/mol
LogP7.70
Rot. Bonds9

About (2Z,4E)-6-[tert-butyl(dimethyl)silyl]oxy-6-[(5R)-5-[2-[tert-butyl(dimethyl)silyl]oxypropan-2-yl]-2-methyloxolan-2-yl]-3-methylhexa-2,4-dienoic acid

(2Z,4E)-6-[tert-butyl(dimethyl)silyl]oxy-6-[(5R)-5-[2-[tert-butyl(dimethyl)silyl]oxypropan-2-yl]-2-methyloxolan-2-yl]-3-methylhexa-2,4-dienoic acid (PubChem CID 135024281) has the molecular formula C27H52O5Si2 and a molecular weight of 512.88 g/mol. Its IUPAC name is (2Z,4E)-6-[tert-butyl(dimethyl)silyl]oxy-6-[(5R)-5-[2-[tert-butyl(dimethyl)silyl]oxypropan-2-yl]-2-methyloxolan-2-yl]-3-methylhexa-2,4-dienoic acid.

Molecular Properties

Compound Name(2Z,4E)-6-[tert-butyl(dimethyl)silyl]oxy-6-[(5R)-5-[2-[tert-butyl(dimethyl)silyl]oxypropan-2-yl]-2-methyloxolan-2-yl]-3-methylhexa-2,4-dienoic acid
PubChem CID135024281
Molecular FormulaC27H52O5Si2
Molecular Weight512.88 g/mol
Exact Mass512.34
IUPAC Name(2Z,4E)-6-[tert-butyl(dimethyl)silyl]oxy-6-[(5R)-5-[2-[tert-butyl(dimethyl)silyl]oxypropan-2-yl]-2-methyloxolan-2-yl]-3-methylhexa-2,4-dienoic acid
SMILESCC(=C/C(=O)O)/C=C/C(O[Si](C)(C)C(C)(C)C)C1(C)CC[C@H](C(C)(C)O[Si](C)(C)C(C)(C)C)O1
InChIInChI=1S/C27H52O5Si2/c1-20(19-23(28)29)15-16-22(31-33(11,12)24(2,3)4)27(10)18-17-21(30-27)26(8,9)32-34(13,14)25(5,6)7/h15-16,19,21-22H,17-18H2,1-14H3,(H,28,29)/b16-15+,20-19-/t21-,22?,27?/m1/s1
InChIKeyBDANKROBTZZDDF-JGVFCAENSA-N
XLogP7.70
TPSA64.99 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds9
Heavy Atoms34
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500512.88
LogP ≤ 57.70
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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

ethyl (2Z,4E)-6-[tert-butyl(dimethyl)silyl]oxy-6-[(5R)-5-[2-[tert-butyl(dimethyl)silyl]oxypropan-2-yl]-2-methyloxolan-2-yl]-3-methylhexa-2,4-dienoate
CID 135024280
ethyl (2Z,4R,7S,8E,10S)-7-[tert-butyl(dimethyl)silyl]oxy-2-[(E,6R)-7-hydroxy-6-methylhept-1-enyl]-10-[(2R,3S,5R)-5-[(1S)-1-methoxyethyl]-3-methyloxolan-2-yl]-4-methylundeca-2,8-dienoate
CID 10897430
2-[(2S,3R,5R)-3-methyl-5-[(E,1R,2R,6R,7R)-1,7,8-tris[[tert-butyl(dimethyl)silyl]oxy]-2-hydroxy-5,6-dimethyl-3-methylideneoct-4-enyl]oxolan-2-yl]ethyl 2,2-dimethylpropanoate
CID 66552886

Frequently Asked Questions

What is the IUPAC name of (2Z,4E)-6-[tert-butyl(dimethyl)silyl]oxy-6-[(5R)-5-[2-[tert-butyl(dimethyl)silyl]oxypropan-2-yl]-2-methyloxolan-2-yl]-3-methylhexa-2,4-dienoic acid?
The IUPAC name of (2Z,4E)-6-[tert-butyl(dimethyl)silyl]oxy-6-[(5R)-5-[2-[tert-butyl(dimethyl)silyl]oxypropan-2-yl]-2-methyloxolan-2-yl]-3-methylhexa-2,4-dienoic acid (CID 135024281) is (2Z,4E)-6-[tert-butyl(dimethyl)silyl]oxy-6-[(5R)-5-[2-[tert-butyl(dimethyl)silyl]oxypropan-2-yl]-2-methyloxolan-2-yl]-3-methylhexa-2,4-dienoic acid.
What is the SMILES notation for (2Z,4E)-6-[tert-butyl(dimethyl)silyl]oxy-6-[(5R)-5-[2-[tert-butyl(dimethyl)silyl]oxypropan-2-yl]-2-methyloxolan-2-yl]-3-methylhexa-2,4-dienoic acid?
The canonical SMILES for (2Z,4E)-6-[tert-butyl(dimethyl)silyl]oxy-6-[(5R)-5-[2-[tert-butyl(dimethyl)silyl]oxypropan-2-yl]-2-methyloxolan-2-yl]-3-methylhexa-2,4-dienoic acid is CC(=C/C(=O)O)/C=C/C(O[Si](C)(C)C(C)(C)C)C1(C)CC[C@H](C(C)(C)O[Si](C)(C)C(C)(C)C)O1.
What is the InChIKey of (2Z,4E)-6-[tert-butyl(dimethyl)silyl]oxy-6-[(5R)-5-[2-[tert-butyl(dimethyl)silyl]oxypropan-2-yl]-2-methyloxolan-2-yl]-3-methylhexa-2,4-dienoic acid?
The InChIKey is BDANKROBTZZDDF-JGVFCAENSA-N. The full InChI is InChI=1S/C27H52O5Si2/c1-20(19-23(28)29)15-16-22(31-33(11,12)24(2,3)4)27(10)18-17-21(30-27)26(8,9)32-34(13,14)25(5,6)7/h15-16,19,21-22H,17-18H2,1-14H3,(H,28,29)/b16-15+,20-19-/t21-,22?,27?/m1/s1.
What are the key properties of (2Z,4E)-6-[tert-butyl(dimethyl)silyl]oxy-6-[(5R)-5-[2-[tert-butyl(dimethyl)silyl]oxypropan-2-yl]-2-methyloxolan-2-yl]-3-methylhexa-2,4-dienoic acid?
(2Z,4E)-6-[tert-butyl(dimethyl)silyl]oxy-6-[(5R)-5-[2-[tert-butyl(dimethyl)silyl]oxypropan-2-yl]-2-methyloxolan-2-yl]-3-methylhexa-2,4-dienoic acid has a molecular weight of 512.88 g/mol, XLogP of 7.70, 9 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for (2Z,4E)-6-[tert-butyl(dimethyl)silyl]oxy-6-[(5R)-5-[2-[tert-butyl(dimethyl)silyl]oxypropan-2-yl]-2-methyloxolan-2-yl]-3-methylhexa-2,4-dienoic acid is sourced from PubChem (CID 135024281), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).