cyclohex-2-en-1-yl(methyl)oxidanium

C7H13O+ — CID 20707681

IUPACcyclohex-2-en-1-yl(methyl)oxidanium
SMILESC[OH+]C1C=CCCC1
InChIInChI=1S/C7H12O/c1-8-7-5-3-2-4-6-7/h3,5,7H,2,4,6H2,1H3/p+1
InChIKeyOKDKFTKUXADLSJ-UHFFFAOYSA-O
MW113.18 g/mol
LogP1.25
Rot. Bonds1

About cyclohex-2-en-1-yl(methyl)oxidanium

cyclohex-2-en-1-yl(methyl)oxidanium (PubChem CID 20707681) has the molecular formula C7H13O+ and a molecular weight of 113.18 g/mol. Its IUPAC name is cyclohex-2-en-1-yl(methyl)oxidanium.

Molecular Properties

Compound Namecyclohex-2-en-1-yl(methyl)oxidanium
PubChem CID20707681
Molecular FormulaC7H13O+
Molecular Weight113.18 g/mol
Exact Mass113.10
IUPAC Namecyclohex-2-en-1-yl(methyl)oxidanium
SMILESC[OH+]C1C=CCCC1
InChIInChI=1S/C7H12O/c1-8-7-5-3-2-4-6-7/h3,5,7H,2,4,6H2,1H3/p+1
InChIKeyOKDKFTKUXADLSJ-UHFFFAOYSA-O
XLogP1.25
TPSA12.80 Ų
H-Bond Donors
H-Bond Acceptors
Rotatable Bonds1
Heavy Atoms8
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500113.18
LogP ≤ 51.25
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 100

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'charged_oxygen_or_sulfur_atoms', 'substructure': 'N/A'}, {'alert_name': 'isolated_alkene', 'substructure': 'N/A'}

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Related Compounds

(3S)-3-[(1R)-cyclohex-2-en-1-yl]cyclohexene
CID 95564793
ethane;3-methylcyclohexene
CID 145337562
(3R)-3-tert-butylcyclohexene
CID 12523764
3-(2-methoxycyclopentyl)cyclohexene
CID 139470470
tri(cyclohex-2-en-1-yl)phosphane
CID 154370518
3-(cyclohex-2-en-1-yldisulfanyl)cyclohexene
CID 86120832
(1R)-cyclohex-2-en-1-ol;titanium
CID 162397181
(1Z)-6-methylcyclononene
CID 22177377
3-prop-1-enylcyclohexene
CID 152698334
[(1R)-cyclohex-2-en-1-yl]methanediol;ethane
CID 143031665
N-(1-cyclobutylethyl)cyclohex-2-en-1-amine
CID 103903529
(1S,2S)-1,2-bis[(1R)-cyclohex-2-en-1-yl]ethane-1,2-diol
CID 10900215

Frequently Asked Questions

What is the IUPAC name of cyclohex-2-en-1-yl(methyl)oxidanium?
The IUPAC name of cyclohex-2-en-1-yl(methyl)oxidanium (CID 20707681) is cyclohex-2-en-1-yl(methyl)oxidanium.
What is the SMILES notation for cyclohex-2-en-1-yl(methyl)oxidanium?
The canonical SMILES for cyclohex-2-en-1-yl(methyl)oxidanium is C[OH+]C1C=CCCC1.
What is the InChIKey of cyclohex-2-en-1-yl(methyl)oxidanium?
The InChIKey is OKDKFTKUXADLSJ-UHFFFAOYSA-O. The full InChI is InChI=1S/C7H12O/c1-8-7-5-3-2-4-6-7/h3,5,7H,2,4,6H2,1H3/p+1.
What are the key properties of cyclohex-2-en-1-yl(methyl)oxidanium?
cyclohex-2-en-1-yl(methyl)oxidanium has a molecular weight of 113.18 g/mol, XLogP of 1.25, 1 rotatable bonds, 0 hydrogen bond donors, and 0 hydrogen bond acceptors.
Where does this data come from?
All data for cyclohex-2-en-1-yl(methyl)oxidanium is sourced from PubChem (CID 20707681), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).