(Z,2R,4S,5R,6S)-8-iodo-2,4,6-trimethyl-5-triethylsilyloxyoct-7-enal

C17H33IO2Si — CID 46872554

IUPAC(Z,2R,4S,5R,6S)-8-iodo-2,4,6-trimethyl-5-triethylsilyloxyoct-7-enal
SMILESCC[Si](CC)(CC)O[C@@H]([C@@H](C)/C=C\I)[C@@H](C)CC(C)C=O
InChIInChI=1S/C17H33IO2Si/c1-7-21(8-2,9-3)20-17(15(5)10-11-18)16(6)12-14(4)13-19/h10-11,13-17H,7-9,12H2,1-6H3/b11-10-/t14?,15-,16-,17-/m0/s1
InChIKeyZSGFOXRDAJNZFG-LEWHQODDSA-N
MW424.44 g/mol
LogP5.82
Rot. Bonds11

About (Z,2R,4S,5R,6S)-8-iodo-2,4,6-trimethyl-5-triethylsilyloxyoct-7-enal

(Z,2R,4S,5R,6S)-8-iodo-2,4,6-trimethyl-5-triethylsilyloxyoct-7-enal (PubChem CID 46872554) has the molecular formula C17H33IO2Si and a molecular weight of 424.44 g/mol. Its IUPAC name is (Z,2R,4S,5R,6S)-8-iodo-2,4,6-trimethyl-5-triethylsilyloxyoct-7-enal.

Molecular Properties

Compound Name(Z,2R,4S,5R,6S)-8-iodo-2,4,6-trimethyl-5-triethylsilyloxyoct-7-enal
PubChem CID46872554
Molecular FormulaC17H33IO2Si
Molecular Weight424.44 g/mol
Exact Mass424.13
IUPAC Name(Z,2R,4S,5R,6S)-8-iodo-2,4,6-trimethyl-5-triethylsilyloxyoct-7-enal
SMILESCC[Si](CC)(CC)O[C@@H]([C@@H](C)/C=C\I)[C@@H](C)CC(C)C=O
InChIInChI=1S/C17H33IO2Si/c1-7-21(8-2,9-3)20-17(15(5)10-11-18)16(6)12-14(4)13-19/h10-11,13-17H,7-9,12H2,1-6H3/b11-10-/t14?,15-,16-,17-/m0/s1
InChIKeyZSGFOXRDAJNZFG-LEWHQODDSA-N
XLogP5.82
TPSA26.30 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds11
Heavy Atoms21
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500424.44
LogP ≤ 55.82
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

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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Frequently Asked Questions

What is the IUPAC name of (Z,2R,4S,5R,6S)-8-iodo-2,4,6-trimethyl-5-triethylsilyloxyoct-7-enal?
The IUPAC name of (Z,2R,4S,5R,6S)-8-iodo-2,4,6-trimethyl-5-triethylsilyloxyoct-7-enal (CID 46872554) is (Z,2R,4S,5R,6S)-8-iodo-2,4,6-trimethyl-5-triethylsilyloxyoct-7-enal.
What is the SMILES notation for (Z,2R,4S,5R,6S)-8-iodo-2,4,6-trimethyl-5-triethylsilyloxyoct-7-enal?
The canonical SMILES for (Z,2R,4S,5R,6S)-8-iodo-2,4,6-trimethyl-5-triethylsilyloxyoct-7-enal is CC[Si](CC)(CC)O[C@@H]([C@@H](C)/C=C\I)[C@@H](C)CC(C)C=O.
What is the InChIKey of (Z,2R,4S,5R,6S)-8-iodo-2,4,6-trimethyl-5-triethylsilyloxyoct-7-enal?
The InChIKey is ZSGFOXRDAJNZFG-LEWHQODDSA-N. The full InChI is InChI=1S/C17H33IO2Si/c1-7-21(8-2,9-3)20-17(15(5)10-11-18)16(6)12-14(4)13-19/h10-11,13-17H,7-9,12H2,1-6H3/b11-10-/t14?,15-,16-,17-/m0/s1.
What are the key properties of (Z,2R,4S,5R,6S)-8-iodo-2,4,6-trimethyl-5-triethylsilyloxyoct-7-enal?
(Z,2R,4S,5R,6S)-8-iodo-2,4,6-trimethyl-5-triethylsilyloxyoct-7-enal has a molecular weight of 424.44 g/mol, XLogP of 5.82, 11 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for (Z,2R,4S,5R,6S)-8-iodo-2,4,6-trimethyl-5-triethylsilyloxyoct-7-enal is sourced from PubChem (CID 46872554), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).