(1R)-1-hydroxy-3-iodo-2,2,4-trimethylcyclohex-3-ene-1-carbaldehyde

C10H15IO2 — CID 102102447

IUPAC(1R)-1-hydroxy-3-iodo-2,2,4-trimethylcyclohex-3-ene-1-carbaldehyde
SMILESCC1=C(I)C(C)(C)[C@@](O)(C=O)CC1
InChIInChI=1S/C10H15IO2/c1-7-4-5-10(13,6-12)9(2,3)8(7)11/h6,13H,4-5H2,1-3H3/t10-/m0/s1
InChIKeySKUZTEDBLNLCFU-JTQLQIEISA-N
MW294.13 g/mol
LogP2.45
Rot. Bonds1

About (1R)-1-hydroxy-3-iodo-2,2,4-trimethylcyclohex-3-ene-1-carbaldehyde

(1R)-1-hydroxy-3-iodo-2,2,4-trimethylcyclohex-3-ene-1-carbaldehyde (PubChem CID 102102447) has the molecular formula C10H15IO2 and a molecular weight of 294.13 g/mol. Its IUPAC name is (1R)-1-hydroxy-3-iodo-2,2,4-trimethylcyclohex-3-ene-1-carbaldehyde.

Molecular Properties

Compound Name(1R)-1-hydroxy-3-iodo-2,2,4-trimethylcyclohex-3-ene-1-carbaldehyde
PubChem CID102102447
Molecular FormulaC10H15IO2
Molecular Weight294.13 g/mol
Exact Mass294.01
IUPAC Name(1R)-1-hydroxy-3-iodo-2,2,4-trimethylcyclohex-3-ene-1-carbaldehyde
SMILESCC1=C(I)C(C)(C)[C@@](O)(C=O)CC1
InChIInChI=1S/C10H15IO2/c1-7-4-5-10(13,6-12)9(2,3)8(7)11/h6,13H,4-5H2,1-3H3/t10-/m0/s1
InChIKeySKUZTEDBLNLCFU-JTQLQIEISA-N
XLogP2.45
TPSA37.30 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds1
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500294.13
LogP ≤ 52.45
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of (1R)-1-hydroxy-3-iodo-2,2,4-trimethylcyclohex-3-ene-1-carbaldehyde?
The IUPAC name of (1R)-1-hydroxy-3-iodo-2,2,4-trimethylcyclohex-3-ene-1-carbaldehyde (CID 102102447) is (1R)-1-hydroxy-3-iodo-2,2,4-trimethylcyclohex-3-ene-1-carbaldehyde.
What is the SMILES notation for (1R)-1-hydroxy-3-iodo-2,2,4-trimethylcyclohex-3-ene-1-carbaldehyde?
The canonical SMILES for (1R)-1-hydroxy-3-iodo-2,2,4-trimethylcyclohex-3-ene-1-carbaldehyde is CC1=C(I)C(C)(C)[C@@](O)(C=O)CC1.
What is the InChIKey of (1R)-1-hydroxy-3-iodo-2,2,4-trimethylcyclohex-3-ene-1-carbaldehyde?
The InChIKey is SKUZTEDBLNLCFU-JTQLQIEISA-N. The full InChI is InChI=1S/C10H15IO2/c1-7-4-5-10(13,6-12)9(2,3)8(7)11/h6,13H,4-5H2,1-3H3/t10-/m0/s1.
What are the key properties of (1R)-1-hydroxy-3-iodo-2,2,4-trimethylcyclohex-3-ene-1-carbaldehyde?
(1R)-1-hydroxy-3-iodo-2,2,4-trimethylcyclohex-3-ene-1-carbaldehyde has a molecular weight of 294.13 g/mol, XLogP of 2.45, 1 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for (1R)-1-hydroxy-3-iodo-2,2,4-trimethylcyclohex-3-ene-1-carbaldehyde is sourced from PubChem (CID 102102447), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).