(E,2S,3R)-6-iodo-2,5-dimethyl-3-triethylsilyloxyhex-5-enal

C14H27IO2Si — CID 53494349

IUPAC(E,2S,3R)-6-iodo-2,5-dimethyl-3-triethylsilyloxyhex-5-enal
SMILESCC[Si](CC)(CC)O[C@H](C/C(C)=C/I)[C@H](C)C=O
InChIInChI=1S/C14H27IO2Si/c1-6-18(7-2,8-3)17-14(13(5)11-16)9-12(4)10-15/h10-11,13-14H,6-9H2,1-5H3/b12-10+/t13-,14-/m1/s1
InChIKeyUHLFFCCVYBDKPZ-XMNZZIDVSA-N
MW382.36 g/mol
LogP4.94
Rot. Bonds9

About (E,2S,3R)-6-iodo-2,5-dimethyl-3-triethylsilyloxyhex-5-enal

(E,2S,3R)-6-iodo-2,5-dimethyl-3-triethylsilyloxyhex-5-enal (PubChem CID 53494349) has the molecular formula C14H27IO2Si and a molecular weight of 382.36 g/mol. Its IUPAC name is (E,2S,3R)-6-iodo-2,5-dimethyl-3-triethylsilyloxyhex-5-enal.

Molecular Properties

Compound Name(E,2S,3R)-6-iodo-2,5-dimethyl-3-triethylsilyloxyhex-5-enal
PubChem CID53494349
Molecular FormulaC14H27IO2Si
Molecular Weight382.36 g/mol
Exact Mass382.08
IUPAC Name(E,2S,3R)-6-iodo-2,5-dimethyl-3-triethylsilyloxyhex-5-enal
SMILESCC[Si](CC)(CC)O[C@H](C/C(C)=C/I)[C@H](C)C=O
InChIInChI=1S/C14H27IO2Si/c1-6-18(7-2,8-3)17-14(13(5)11-16)9-12(4)10-15/h10-11,13-14H,6-9H2,1-5H3/b12-10+/t13-,14-/m1/s1
InChIKeyUHLFFCCVYBDKPZ-XMNZZIDVSA-N
XLogP4.94
TPSA26.30 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds9
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500382.36
LogP ≤ 54.94
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 (E,2S,3R)-6-iodo-2,5-dimethyl-3-triethylsilyloxyhex-5-enal?
The IUPAC name of (E,2S,3R)-6-iodo-2,5-dimethyl-3-triethylsilyloxyhex-5-enal (CID 53494349) is (E,2S,3R)-6-iodo-2,5-dimethyl-3-triethylsilyloxyhex-5-enal.
What is the SMILES notation for (E,2S,3R)-6-iodo-2,5-dimethyl-3-triethylsilyloxyhex-5-enal?
The canonical SMILES for (E,2S,3R)-6-iodo-2,5-dimethyl-3-triethylsilyloxyhex-5-enal is CC[Si](CC)(CC)O[C@H](C/C(C)=C/I)[C@H](C)C=O.
What is the InChIKey of (E,2S,3R)-6-iodo-2,5-dimethyl-3-triethylsilyloxyhex-5-enal?
The InChIKey is UHLFFCCVYBDKPZ-XMNZZIDVSA-N. The full InChI is InChI=1S/C14H27IO2Si/c1-6-18(7-2,8-3)17-14(13(5)11-16)9-12(4)10-15/h10-11,13-14H,6-9H2,1-5H3/b12-10+/t13-,14-/m1/s1.
What are the key properties of (E,2S,3R)-6-iodo-2,5-dimethyl-3-triethylsilyloxyhex-5-enal?
(E,2S,3R)-6-iodo-2,5-dimethyl-3-triethylsilyloxyhex-5-enal has a molecular weight of 382.36 g/mol, XLogP of 4.94, 9 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for (E,2S,3R)-6-iodo-2,5-dimethyl-3-triethylsilyloxyhex-5-enal is sourced from PubChem (CID 53494349), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).