(2S)-2-[(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]propanal

C27H52O4Si — CID 11091894

About (2S)-2-[(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]propanal

(2S)-2-[(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]propanal (PubChem CID 11091894) has the molecular formula C27H52O4Si and a molecular weight of 468.80 g/mol. Its IUPAC name is (2S)-2-[(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]propanal.

Molecular Properties

• Compound Name: (2S)-2-[(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]propanal
• PubChem CID: 11091894
• Molecular Formula: C27H52O4Si
• Molecular Weight: 468.80 g/mol
• Exact Mass: 468.36
• IUPAC Name: (2S)-2-[(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]propanal
• SMILES: CCCCC[C@H](C/C=C(\C)[C@H]1OC(C)(C)O[C@@H]([C@H](C)C=O)C1(C)C)O[Si](C)(C)C(C)(C)C
• InChI: InChI=1S/C27H52O4Si/c1-13-14-15-16-22(31-32(11,12)25(4,5)6)18-17-20(2)23-26(7,8)24(21(3)19-28)30-27(9,10)29-23/h17,19,21-24H,13-16,18H2,1-12H3/b20-17+/t21-,22-,23-,24+/m1/s1
• InChIKey: ARUXEIOBWDSHCK-IBPZPBCISA-N
• XLogP: 7.67
• TPSA: 44.76 Ų
• H-Bond Acceptors: 4
• Rotatable Bonds: 11
• Heavy Atoms: 32
• Complexity: —

Lipinski Rule of Five

1 violation

Rule	Value
MW ≤ 500	468.80
LogP ≤ 5	7.67
H-Bond Donors ≤ 5	0
H-Bond Acceptors ≤ 10	4

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'}

Frequently Asked Questions

What is the IUPAC name of (2S)-2-[(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]propanal?

The IUPAC name of (2S)-2-[(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]propanal (CID 11091894) is (2S)-2-[(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]propanal.

What is the SMILES notation for (2S)-2-[(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]propanal?

The canonical SMILES for (2S)-2-[(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]propanal is CCCCC[C@H](C/C=C(\C)[C@H]1OC(C)(C)O[C@@H]([C@H](C)C=O)C1(C)C)O[Si](C)(C)C(C)(C)C.

What is the InChIKey of (2S)-2-[(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]propanal?

The InChIKey is ARUXEIOBWDSHCK-IBPZPBCISA-N. The full InChI is InChI=1S/C27H52O4Si/c1-13-14-15-16-22(31-32(11,12)25(4,5)6)18-17-20(2)23-26(7,8)24(21(3)19-28)30-27(9,10)29-23/h17,19,21-24H,13-16,18H2,1-12H3/b20-17+/t21-,22-,23-,24+/m1/s1.

What are the key properties of (2S)-2-[(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]propanal?

(2S)-2-[(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]propanal has a molecular weight of 468.80 g/mol, XLogP of 7.67, 11 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.

Where does this data come from?

All data for (2S)-2-[(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]propanal is sourced from PubChem (CID 11091894), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).