2-cyclohexylacetaldehyde;rubidium(1+)

C8H13ORb — CID 59915756

IUPAC2-cyclohexylacetaldehyde;rubidium(1+)
SMILESO=CCC1CC[CH-]CC1.[Rb+]
InChIInChI=1S/C8H13O.Rb/c9-7-6-8-4-2-1-3-5-8;/h1,7-8H,2-6H2;/q-1;+1
InChIKeyCBPOXFVZNXODDO-UHFFFAOYSA-N
MW210.66 g/mol
LogP-1.03
Rot. Bonds2

About 2-cyclohexylacetaldehyde;rubidium(1+)

2-cyclohexylacetaldehyde;rubidium(1+) (PubChem CID 59915756) has the molecular formula C8H13ORb and a molecular weight of 210.66 g/mol. Its IUPAC name is 2-cyclohexylacetaldehyde;rubidium(1+).

Molecular Properties

Compound Name2-cyclohexylacetaldehyde;rubidium(1+)
PubChem CID59915756
Molecular FormulaC8H13ORb
Molecular Weight210.66 g/mol
Exact Mass210.01
IUPAC Name2-cyclohexylacetaldehyde;rubidium(1+)
SMILESO=CCC1CC[CH-]CC1.[Rb+]
InChIInChI=1S/C8H13O.Rb/c9-7-6-8-4-2-1-3-5-8;/h1,7-8H,2-6H2;/q-1;+1
InChIKeyCBPOXFVZNXODDO-UHFFFAOYSA-N
XLogP-1.03
TPSA17.07 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds2
Heavy Atoms10
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500210.66
LogP ≤ 5-1.03
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 101

Computed Properties (RDKit)

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

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Related Compounds

2-piperidin-4-ylacetaldehyde
CID 23401441
2-(oxan-4-yl)acetaldehyde;propane
CID 145213291
2-cyclopentylacetaldehyde;2-cyclopentylethanol
CID 158462189
4-(2-oxoethyl)cyclohexane-1-carboxamide
CID 87477686
2-[4-(ethylaminomethyl)cyclohexyl]acetaldehyde
CID 87141647
2-(4-methyl-4-phosphanylcyclohexyl)acetaldehyde
CID 143745622
2-(1-acetylborinan-4-yl)acetaldehyde
CID 142880765
2-[4-(tert-butylamino)cyclohexyl]acetaldehyde
CID 175732114
2-(oxetan-2-yl)acetaldehyde
CID 53346577
2-[(2S)-oxetan-2-yl]acetaldehyde
CID 124631667
2-[(1S)-3-oxocyclopentyl]acetaldehyde
CID 10534670
N-[4-(2-oxoethyl)cyclohexyl]acetamide
CID 59464618

Frequently Asked Questions

What is the IUPAC name of 2-cyclohexylacetaldehyde;rubidium(1+)?
The IUPAC name of 2-cyclohexylacetaldehyde;rubidium(1+) (CID 59915756) is 2-cyclohexylacetaldehyde;rubidium(1+).
What is the SMILES notation for 2-cyclohexylacetaldehyde;rubidium(1+)?
The canonical SMILES for 2-cyclohexylacetaldehyde;rubidium(1+) is O=CCC1CC[CH-]CC1.[Rb+].
What is the InChIKey of 2-cyclohexylacetaldehyde;rubidium(1+)?
The InChIKey is CBPOXFVZNXODDO-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H13O.Rb/c9-7-6-8-4-2-1-3-5-8;/h1,7-8H,2-6H2;/q-1;+1.
What are the key properties of 2-cyclohexylacetaldehyde;rubidium(1+)?
2-cyclohexylacetaldehyde;rubidium(1+) has a molecular weight of 210.66 g/mol, XLogP of -1.03, 2 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 2-cyclohexylacetaldehyde;rubidium(1+) is sourced from PubChem (CID 59915756), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).