2-[(2R,4E,6S)-4-(iodomethylidene)-6-[2-tri(propan-2-yl)silyloxyethyl]oxan-2-yl]acetaldehyde

C19H35IO3Si — CID 138969157

IUPAC2-[(2R,4E,6S)-4-(iodomethylidene)-6-[2-tri(propan-2-yl)silyloxyethyl]oxan-2-yl]acetaldehyde
SMILESCC(C)[Si](OCC[C@@H]1C/C(=C\I)C[C@H](CC=O)O1)(C(C)C)C(C)C
InChIInChI=1S/C19H35IO3Si/c1-14(2)24(15(3)4,16(5)6)22-10-8-19-12-17(13-20)11-18(23-19)7-9-21/h9,13-16,18-19H,7-8,10-12H2,1-6H3/b17-13-/t18-,19+/m0/s1
InChIKeyAJSDCRCFOMYJCD-RCJGQPJSSA-N
MW466.48 g/mol
LogP6.02
Rot. Bonds9

About 2-[(2R,4E,6S)-4-(iodomethylidene)-6-[2-tri(propan-2-yl)silyloxyethyl]oxan-2-yl]acetaldehyde

2-[(2R,4E,6S)-4-(iodomethylidene)-6-[2-tri(propan-2-yl)silyloxyethyl]oxan-2-yl]acetaldehyde (PubChem CID 138969157) has the molecular formula C19H35IO3Si and a molecular weight of 466.48 g/mol. Its IUPAC name is 2-[(2R,4E,6S)-4-(iodomethylidene)-6-[2-tri(propan-2-yl)silyloxyethyl]oxan-2-yl]acetaldehyde.

Molecular Properties

Compound Name2-[(2R,4E,6S)-4-(iodomethylidene)-6-[2-tri(propan-2-yl)silyloxyethyl]oxan-2-yl]acetaldehyde
PubChem CID138969157
Molecular FormulaC19H35IO3Si
Molecular Weight466.48 g/mol
Exact Mass466.14
IUPAC Name2-[(2R,4E,6S)-4-(iodomethylidene)-6-[2-tri(propan-2-yl)silyloxyethyl]oxan-2-yl]acetaldehyde
SMILESCC(C)[Si](OCC[C@@H]1C/C(=C\I)C[C@H](CC=O)O1)(C(C)C)C(C)C
InChIInChI=1S/C19H35IO3Si/c1-14(2)24(15(3)4,16(5)6)22-10-8-19-12-17(13-20)11-18(23-19)7-9-21/h9,13-16,18-19H,7-8,10-12H2,1-6H3/b17-13-/t18-,19+/m0/s1
InChIKeyAJSDCRCFOMYJCD-RCJGQPJSSA-N
XLogP6.02
TPSA35.53 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds9
Heavy Atoms24
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500466.48
LogP ≤ 56.02
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'aldehyde', 'substructure': 'N/A'}, {'alert_name': 'heavy_metal', 'substructure': 'N/A'}, {'alert_name': 'iodine', 'substructure': 'N/A'}

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Related Compounds

1-[(2S,4E,6S)-6-ethyl-4-(trimethylsilylmethylidene)oxan-2-yl]octan-2-one
CID 11573385
1-[(2S,4Z,6S)-6-ethyl-4-(trimethylsilylmethylidene)oxan-2-yl]octan-2-one
CID 177562948

Frequently Asked Questions

What is the IUPAC name of 2-[(2R,4E,6S)-4-(iodomethylidene)-6-[2-tri(propan-2-yl)silyloxyethyl]oxan-2-yl]acetaldehyde?
The IUPAC name of 2-[(2R,4E,6S)-4-(iodomethylidene)-6-[2-tri(propan-2-yl)silyloxyethyl]oxan-2-yl]acetaldehyde (CID 138969157) is 2-[(2R,4E,6S)-4-(iodomethylidene)-6-[2-tri(propan-2-yl)silyloxyethyl]oxan-2-yl]acetaldehyde.
What is the SMILES notation for 2-[(2R,4E,6S)-4-(iodomethylidene)-6-[2-tri(propan-2-yl)silyloxyethyl]oxan-2-yl]acetaldehyde?
The canonical SMILES for 2-[(2R,4E,6S)-4-(iodomethylidene)-6-[2-tri(propan-2-yl)silyloxyethyl]oxan-2-yl]acetaldehyde is CC(C)[Si](OCC[C@@H]1C/C(=C\I)C[C@H](CC=O)O1)(C(C)C)C(C)C.
What is the InChIKey of 2-[(2R,4E,6S)-4-(iodomethylidene)-6-[2-tri(propan-2-yl)silyloxyethyl]oxan-2-yl]acetaldehyde?
The InChIKey is AJSDCRCFOMYJCD-RCJGQPJSSA-N. The full InChI is InChI=1S/C19H35IO3Si/c1-14(2)24(15(3)4,16(5)6)22-10-8-19-12-17(13-20)11-18(23-19)7-9-21/h9,13-16,18-19H,7-8,10-12H2,1-6H3/b17-13-/t18-,19+/m0/s1.
What are the key properties of 2-[(2R,4E,6S)-4-(iodomethylidene)-6-[2-tri(propan-2-yl)silyloxyethyl]oxan-2-yl]acetaldehyde?
2-[(2R,4E,6S)-4-(iodomethylidene)-6-[2-tri(propan-2-yl)silyloxyethyl]oxan-2-yl]acetaldehyde has a molecular weight of 466.48 g/mol, XLogP of 6.02, 9 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[(2R,4E,6S)-4-(iodomethylidene)-6-[2-tri(propan-2-yl)silyloxyethyl]oxan-2-yl]acetaldehyde is sourced from PubChem (CID 138969157), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).