3-iodo-2,2,4-trimethyl-1-trimethylsilyloxycyclohex-3-ene-1-carbaldehyde

C13H23IO2Si — CID 10959490

IUPAC3-iodo-2,2,4-trimethyl-1-trimethylsilyloxycyclohex-3-ene-1-carbaldehyde
SMILESCC1=C(I)C(C)(C)C(C=O)(O[Si](C)(C)C)CC1
InChIInChI=1S/C13H23IO2Si/c1-10-7-8-13(9-15,16-17(4,5)6)12(2,3)11(10)14/h9H,7-8H2,1-6H3
InChIKeyZFYVGVFNNTZTSD-UHFFFAOYSA-N
MW366.32 g/mol
LogP4.30
Rot. Bonds3

About 3-iodo-2,2,4-trimethyl-1-trimethylsilyloxycyclohex-3-ene-1-carbaldehyde

3-iodo-2,2,4-trimethyl-1-trimethylsilyloxycyclohex-3-ene-1-carbaldehyde (PubChem CID 10959490) has the molecular formula C13H23IO2Si and a molecular weight of 366.32 g/mol. Its IUPAC name is 3-iodo-2,2,4-trimethyl-1-trimethylsilyloxycyclohex-3-ene-1-carbaldehyde.

Molecular Properties

Compound Name3-iodo-2,2,4-trimethyl-1-trimethylsilyloxycyclohex-3-ene-1-carbaldehyde
PubChem CID10959490
Molecular FormulaC13H23IO2Si
Molecular Weight366.32 g/mol
Exact Mass366.05
IUPAC Name3-iodo-2,2,4-trimethyl-1-trimethylsilyloxycyclohex-3-ene-1-carbaldehyde
SMILESCC1=C(I)C(C)(C)C(C=O)(O[Si](C)(C)C)CC1
InChIInChI=1S/C13H23IO2Si/c1-10-7-8-13(9-15,16-17(4,5)6)12(2,3)11(10)14/h9H,7-8H2,1-6H3
InChIKeyZFYVGVFNNTZTSD-UHFFFAOYSA-N
XLogP4.30
TPSA26.30 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500366.32
LogP ≤ 54.30
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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Related Compounds

2,2,4-Trimethyl-1-trimethylsilyloxycyclohex-3-ene-1-carbaldehyde
CID 10890041
1-Hydroxy-3-iodo-2,2,4-trimethylcyclohex-3-ene-1-carbaldehyde
CID 11087668
3-Ethenyl-2,2,4-trimethyl-1-trimethylsilyloxycyclohex-3-ene-1-carbaldehyde
CID 11108313
(1S)-1-hydroxy-3-iodo-2,2,4-trimethylcyclohex-3-ene-1-carbaldehyde
CID 101926929
(1R)-1-hydroxy-3-iodo-2,2,4-trimethylcyclohex-3-ene-1-carbaldehyde
CID 102102447

Frequently Asked Questions

What is the IUPAC name of 3-iodo-2,2,4-trimethyl-1-trimethylsilyloxycyclohex-3-ene-1-carbaldehyde?
The IUPAC name of 3-iodo-2,2,4-trimethyl-1-trimethylsilyloxycyclohex-3-ene-1-carbaldehyde (CID 10959490) is 3-iodo-2,2,4-trimethyl-1-trimethylsilyloxycyclohex-3-ene-1-carbaldehyde.
What is the SMILES notation for 3-iodo-2,2,4-trimethyl-1-trimethylsilyloxycyclohex-3-ene-1-carbaldehyde?
The canonical SMILES for 3-iodo-2,2,4-trimethyl-1-trimethylsilyloxycyclohex-3-ene-1-carbaldehyde is CC1=C(I)C(C)(C)C(C=O)(O[Si](C)(C)C)CC1.
What is the InChIKey of 3-iodo-2,2,4-trimethyl-1-trimethylsilyloxycyclohex-3-ene-1-carbaldehyde?
The InChIKey is ZFYVGVFNNTZTSD-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H23IO2Si/c1-10-7-8-13(9-15,16-17(4,5)6)12(2,3)11(10)14/h9H,7-8H2,1-6H3.
What are the key properties of 3-iodo-2,2,4-trimethyl-1-trimethylsilyloxycyclohex-3-ene-1-carbaldehyde?
3-iodo-2,2,4-trimethyl-1-trimethylsilyloxycyclohex-3-ene-1-carbaldehyde has a molecular weight of 366.32 g/mol, XLogP of 4.30, 3 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 3-iodo-2,2,4-trimethyl-1-trimethylsilyloxycyclohex-3-ene-1-carbaldehyde is sourced from PubChem (CID 10959490), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).