cyclohexylidene(oxido)oxidanium

C6H10O2 — CID 10796721

IUPACcyclohexylidene(oxido)oxidanium
SMILES[O-][O+]=C1CCCCC1
InChIInChI=1S/C6H10O2/c7-8-6-4-2-1-3-5-6/h1-5H2
InChIKeyLSRPARCOXAUYNP-UHFFFAOYSA-N
MW114.14 g/mol
LogP0.33
Rot. Bonds

About cyclohexylidene(oxido)oxidanium

cyclohexylidene(oxido)oxidanium (PubChem CID 10796721) has the molecular formula C6H10O2 and a molecular weight of 114.14 g/mol. Its IUPAC name is cyclohexylidene(oxido)oxidanium.

Molecular Properties

Compound Namecyclohexylidene(oxido)oxidanium
PubChem CID10796721
Molecular FormulaC6H10O2
Molecular Weight114.14 g/mol
Exact Mass114.07
IUPAC Namecyclohexylidene(oxido)oxidanium
SMILES[O-][O+]=C1CCCCC1
InChIInChI=1S/C6H10O2/c7-8-6-4-2-1-3-5-6/h1-5H2
InChIKeyLSRPARCOXAUYNP-UHFFFAOYSA-N
XLogP0.33
TPSA34.36 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds
Heavy Atoms8
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500114.14
LogP ≤ 50.33
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 101

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'charged_oxygen_or_sulfur_atoms', 'substructure': 'N/A'}, {'alert_name': 'Oxygen-nitrogen_single_bond', 'substructure': 'N/A'}, {'alert_name': 'peroxide', 'substructure': 'N/A'}

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Related Compounds

Cyclohexanone
CID 7967
1,3-Cyclohexanedione
CID 10434
1,2-Cyclohexanedione
CID 13006
1,4-Cyclohexanedione
CID 12511
(2R)-2-fluorocyclohexan-1-one
CID 643117
2-Fluorocyclohexanone
CID 11829404
(2H10)Cyclohexanone
CID 12998629
Cyclohexanone-2,2,6,6-d4
CID 12998634
4-Fluorocyclohexan-1-one
CID 11999997
(2S)-2-Fluorocyclohexan-1-one
CID 42552906
(1-~13~C)Cyclohexanone
CID 12998639
Cyclohexanone--formaldehyde (1/1)
CID 168266

Frequently Asked Questions

What is the IUPAC name of cyclohexylidene(oxido)oxidanium?
The IUPAC name of cyclohexylidene(oxido)oxidanium (CID 10796721) is cyclohexylidene(oxido)oxidanium.
What is the SMILES notation for cyclohexylidene(oxido)oxidanium?
The canonical SMILES for cyclohexylidene(oxido)oxidanium is [O-][O+]=C1CCCCC1.
What is the InChIKey of cyclohexylidene(oxido)oxidanium?
The InChIKey is LSRPARCOXAUYNP-UHFFFAOYSA-N. The full InChI is InChI=1S/C6H10O2/c7-8-6-4-2-1-3-5-6/h1-5H2.
What are the key properties of cyclohexylidene(oxido)oxidanium?
cyclohexylidene(oxido)oxidanium has a molecular weight of 114.14 g/mol, XLogP of 0.33, 0 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for cyclohexylidene(oxido)oxidanium is sourced from PubChem (CID 10796721), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).