(E,4R)-4-[(4S,6R)-6-[(E,5R)-5-[tert-butyl(dimethyl)silyl]oxydec-2-en-2-yl]-2,2,5,5-tetramethyl-1,3-dioxan-4-yl]-2-methylpent-2-enal

C30H56O4Si — CID 10874873

IUPAC(E,4R)-4-[(4S,6R)-6-[(E,5R)-5-[tert-butyl(dimethyl)silyl]oxydec-2-en-2-yl]-2,2,5,5-tetramethyl-1,3-dioxan-4-yl]-2-methylpent-2-enal
SMILESCCCCC[C@H](C/C=C(\C)[C@H]1OC(C)(C)O[C@@H]([C@H](C)/C=C(\C)C=O)C1(C)C)O[Si](C)(C)C(C)(C)C
InChIInChI=1S/C30H56O4Si/c1-14-15-16-17-25(34-35(12,13)28(5,6)7)19-18-23(3)26-29(8,9)27(33-30(10,11)32-26)24(4)20-22(2)21-31/h18,20-21,24-27H,14-17,19H2,1-13H3/b22-20+,23-18+/t24-,25-,26-,27+/m1/s1
InChIKeyCPRAGKUSXOKUKI-RFAQMKBJSA-N
MW508.86 g/mol
LogP8.62
Rot. Bonds12

About (E,4R)-4-[(4S,6R)-6-[(E,5R)-5-[tert-butyl(dimethyl)silyl]oxydec-2-en-2-yl]-2,2,5,5-tetramethyl-1,3-dioxan-4-yl]-2-methylpent-2-enal

(E,4R)-4-[(4S,6R)-6-[(E,5R)-5-[tert-butyl(dimethyl)silyl]oxydec-2-en-2-yl]-2,2,5,5-tetramethyl-1,3-dioxan-4-yl]-2-methylpent-2-enal (PubChem CID 10874873) has the molecular formula C30H56O4Si and a molecular weight of 508.86 g/mol. Its IUPAC name is (E,4R)-4-[(4S,6R)-6-[(E,5R)-5-[tert-butyl(dimethyl)silyl]oxydec-2-en-2-yl]-2,2,5,5-tetramethyl-1,3-dioxan-4-yl]-2-methylpent-2-enal.

Molecular Properties

Compound Name(E,4R)-4-[(4S,6R)-6-[(E,5R)-5-[tert-butyl(dimethyl)silyl]oxydec-2-en-2-yl]-2,2,5,5-tetramethyl-1,3-dioxan-4-yl]-2-methylpent-2-enal
PubChem CID10874873
Molecular FormulaC30H56O4Si
Molecular Weight508.86 g/mol
Exact Mass508.39
IUPAC Name(E,4R)-4-[(4S,6R)-6-[(E,5R)-5-[tert-butyl(dimethyl)silyl]oxydec-2-en-2-yl]-2,2,5,5-tetramethyl-1,3-dioxan-4-yl]-2-methylpent-2-enal
SMILESCCCCC[C@H](C/C=C(\C)[C@H]1OC(C)(C)O[C@@H]([C@H](C)/C=C(\C)C=O)C1(C)C)O[Si](C)(C)C(C)(C)C
InChIInChI=1S/C30H56O4Si/c1-14-15-16-17-25(34-35(12,13)28(5,6)7)19-18-23(3)26-29(8,9)27(33-30(10,11)32-26)24(4)20-22(2)21-31/h18,20-21,24-27H,14-17,19H2,1-13H3/b22-20+,23-18+/t24-,25-,26-,27+/m1/s1
InChIKeyCPRAGKUSXOKUKI-RFAQMKBJSA-N
XLogP8.62
TPSA44.76 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds12
Heavy Atoms35
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500508.86
LogP ≤ 58.62
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

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

Analyze (E,4R)-4-[(4S,6R)-6-[(E,5R)-5-[tert-butyl(dimethyl)silyl]oxydec-2-en-2-yl]-2,2,5,5-tetramethyl-1,3-dioxan-4-yl]-2-methylpent-2-enal with MolForge

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Frequently Asked Questions

What is the IUPAC name of (E,4R)-4-[(4S,6R)-6-[(E,5R)-5-[tert-butyl(dimethyl)silyl]oxydec-2-en-2-yl]-2,2,5,5-tetramethyl-1,3-dioxan-4-yl]-2-methylpent-2-enal?
The IUPAC name of (E,4R)-4-[(4S,6R)-6-[(E,5R)-5-[tert-butyl(dimethyl)silyl]oxydec-2-en-2-yl]-2,2,5,5-tetramethyl-1,3-dioxan-4-yl]-2-methylpent-2-enal (CID 10874873) is (E,4R)-4-[(4S,6R)-6-[(E,5R)-5-[tert-butyl(dimethyl)silyl]oxydec-2-en-2-yl]-2,2,5,5-tetramethyl-1,3-dioxan-4-yl]-2-methylpent-2-enal.
What is the SMILES notation for (E,4R)-4-[(4S,6R)-6-[(E,5R)-5-[tert-butyl(dimethyl)silyl]oxydec-2-en-2-yl]-2,2,5,5-tetramethyl-1,3-dioxan-4-yl]-2-methylpent-2-enal?
The canonical SMILES for (E,4R)-4-[(4S,6R)-6-[(E,5R)-5-[tert-butyl(dimethyl)silyl]oxydec-2-en-2-yl]-2,2,5,5-tetramethyl-1,3-dioxan-4-yl]-2-methylpent-2-enal is CCCCC[C@H](C/C=C(\C)[C@H]1OC(C)(C)O[C@@H]([C@H](C)/C=C(\C)C=O)C1(C)C)O[Si](C)(C)C(C)(C)C.
What is the InChIKey of (E,4R)-4-[(4S,6R)-6-[(E,5R)-5-[tert-butyl(dimethyl)silyl]oxydec-2-en-2-yl]-2,2,5,5-tetramethyl-1,3-dioxan-4-yl]-2-methylpent-2-enal?
The InChIKey is CPRAGKUSXOKUKI-RFAQMKBJSA-N. The full InChI is InChI=1S/C30H56O4Si/c1-14-15-16-17-25(34-35(12,13)28(5,6)7)19-18-23(3)26-29(8,9)27(33-30(10,11)32-26)24(4)20-22(2)21-31/h18,20-21,24-27H,14-17,19H2,1-13H3/b22-20+,23-18+/t24-,25-,26-,27+/m1/s1.
What are the key properties of (E,4R)-4-[(4S,6R)-6-[(E,5R)-5-[tert-butyl(dimethyl)silyl]oxydec-2-en-2-yl]-2,2,5,5-tetramethyl-1,3-dioxan-4-yl]-2-methylpent-2-enal?
(E,4R)-4-[(4S,6R)-6-[(E,5R)-5-[tert-butyl(dimethyl)silyl]oxydec-2-en-2-yl]-2,2,5,5-tetramethyl-1,3-dioxan-4-yl]-2-methylpent-2-enal has a molecular weight of 508.86 g/mol, XLogP of 8.62, 12 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for (E,4R)-4-[(4S,6R)-6-[(E,5R)-5-[tert-butyl(dimethyl)silyl]oxydec-2-en-2-yl]-2,2,5,5-tetramethyl-1,3-dioxan-4-yl]-2-methylpent-2-enal is sourced from PubChem (CID 10874873), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).