trans-(1S,3S)-3-iodocyclopentane-1-carbaldehyde

C6H9IO — CID 57088024

IUPACtrans-(1S,3S)-3-iodocyclopentane-1-carbaldehyde
SMILESO=C[C@H]1CC[C@H](I)C1
InChIInChI=1S/C6H9IO/c7-6-2-1-5(3-6)4-8/h4-6H,1-3H2/t5-,6-/m0/s1
InChIKeyUBJAWOVUTXTWIZ-WDSKDSINSA-N
MW224.04 g/mol
LogP1.79
Rot. Bonds1

About trans-(1S,3S)-3-iodocyclopentane-1-carbaldehyde

trans-(1S,3S)-3-iodocyclopentane-1-carbaldehyde (PubChem CID 57088024) has the molecular formula C6H9IO and a molecular weight of 224.04 g/mol. Its IUPAC name is trans-(1S,3S)-3-iodocyclopentane-1-carbaldehyde.

Molecular Properties

Compound Nametrans-(1S,3S)-3-iodocyclopentane-1-carbaldehyde
PubChem CID57088024
Molecular FormulaC6H9IO
Molecular Weight224.04 g/mol
Exact Mass223.97
IUPAC Nametrans-(1S,3S)-3-iodocyclopentane-1-carbaldehyde
SMILESO=C[C@H]1CC[C@H](I)C1
InChIInChI=1S/C6H9IO/c7-6-2-1-5(3-6)4-8/h4-6H,1-3H2/t5-,6-/m0/s1
InChIKeyUBJAWOVUTXTWIZ-WDSKDSINSA-N
XLogP1.79
TPSA17.07 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds1
Heavy Atoms8
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500224.04
LogP ≤ 51.79
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 101

Computed Properties (RDKit)

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

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Related Compounds

3-iodocyclohexane-1-carbaldehyde
CID 133056563
cyclohexane-1,3-dicarbaldehyde
CID 23496622
(3S)-3-methylcyclopentane-1-carbaldehyde
CID 59953230
sodium;boranuide;cyclopropanecarbaldehyde
CID 174059838
cyclohexane-1,4-dicarbaldehyde;ethene
CID 155579013
bicyclo[4.2.0]oct-7-ene-3-carbaldehyde
CID 118065996
cyclooctane-1,4-dicarbaldehyde
CID 19884381
4-cyclopropylcyclohexane-1-carbaldehyde
CID 149055202
(1S)-3-tert-butylcyclopentane-1-carbaldehyde
CID 176741692
3-tert-butylsulfinylcyclopentane-1-carbaldehyde
CID 123190092
4-hydroperoxycyclohexane-1-carbaldehyde
CID 145418949
N-[(1S,3R)-3-formylcyclopentyl]-N-methylformamide
CID 144814904

Frequently Asked Questions

What is the IUPAC name of trans-(1S,3S)-3-iodocyclopentane-1-carbaldehyde?
The IUPAC name of trans-(1S,3S)-3-iodocyclopentane-1-carbaldehyde (CID 57088024) is trans-(1S,3S)-3-iodocyclopentane-1-carbaldehyde.
What is the SMILES notation for trans-(1S,3S)-3-iodocyclopentane-1-carbaldehyde?
The canonical SMILES for trans-(1S,3S)-3-iodocyclopentane-1-carbaldehyde is O=C[C@H]1CC[C@H](I)C1.
What is the InChIKey of trans-(1S,3S)-3-iodocyclopentane-1-carbaldehyde?
The InChIKey is UBJAWOVUTXTWIZ-WDSKDSINSA-N. The full InChI is InChI=1S/C6H9IO/c7-6-2-1-5(3-6)4-8/h4-6H,1-3H2/t5-,6-/m0/s1.
What are the key properties of trans-(1S,3S)-3-iodocyclopentane-1-carbaldehyde?
trans-(1S,3S)-3-iodocyclopentane-1-carbaldehyde has a molecular weight of 224.04 g/mol, XLogP of 1.79, 1 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for trans-(1S,3S)-3-iodocyclopentane-1-carbaldehyde is sourced from PubChem (CID 57088024), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).