(3,5-dimethylcyclohexylidene)oxidanium

C8H15O+ — CID 140563406

IUPAC(3,5-dimethylcyclohexylidene)oxidanium
SMILES[H][O+]=C1CC(C)CC(C)C1
InChIInChI=1S/C8H14O/c1-6-3-7(2)5-8(9)4-6/h6-7H,3-5H2,1-2H3/p+1
InChIKeyMSANHHHQJYQEOK-UHFFFAOYSA-O
MW127.21 g/mol
LogP1.99
Rot. Bonds

About (3,5-dimethylcyclohexylidene)oxidanium

(3,5-dimethylcyclohexylidene)oxidanium (PubChem CID 140563406) has the molecular formula C8H15O+ and a molecular weight of 127.21 g/mol. Its IUPAC name is (3,5-dimethylcyclohexylidene)oxidanium.

Molecular Properties

Compound Name(3,5-dimethylcyclohexylidene)oxidanium
PubChem CID140563406
Molecular FormulaC8H15O+
Molecular Weight127.21 g/mol
Exact Mass127.11
IUPAC Name(3,5-dimethylcyclohexylidene)oxidanium
SMILES[H][O+]=C1CC(C)CC(C)C1
InChIInChI=1S/C8H14O/c1-6-3-7(2)5-8(9)4-6/h6-7H,3-5H2,1-2H3/p+1
InChIKeyMSANHHHQJYQEOK-UHFFFAOYSA-O
XLogP1.99
TPSA21.40 Ų
H-Bond Donors
H-Bond Acceptors
Rotatable Bonds
Heavy Atoms9
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500127.21
LogP ≤ 51.99
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 100

Computed Properties (RDKit)

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

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Related Compounds

N-(3,5-dimethylcyclohexylidene)hydroxylamine
CID 580917
(3R)-1,3-dimethylcyclopentane
CID 13119651
1,3,6,8-tetramethylcyclodecane
CID 162455053
(4R,6R)-4,6-dimethylazepan-2-one
CID 12689794
2-(3,5-dimethylcyclohexylidene)acetic acid
CID 64753598
bis(aziridin-2-one);bis(4,6-dimethylazepan-2-one)
CID 158411276
3,5,18-trimethylcyclononadecan-1-one
CID 71369920
1,2,3,5-tetramethylcyclohexene
CID 12751060
1,4-dimethyl-2-methylidenecyclopentane;ethane
CID 144973768
formonitrile;1,3,5-trimethylcyclohexane
CID 174384733
3-(3,5-dimethylcyclohexylidene)butan-2-amine
CID 130574513
3,7-dimethylbicyclo[3.2.0]hept-1(7)-ene
CID 149129589

Frequently Asked Questions

What is the IUPAC name of (3,5-dimethylcyclohexylidene)oxidanium?
The IUPAC name of (3,5-dimethylcyclohexylidene)oxidanium (CID 140563406) is (3,5-dimethylcyclohexylidene)oxidanium.
What is the SMILES notation for (3,5-dimethylcyclohexylidene)oxidanium?
The canonical SMILES for (3,5-dimethylcyclohexylidene)oxidanium is [H][O+]=C1CC(C)CC(C)C1.
What is the InChIKey of (3,5-dimethylcyclohexylidene)oxidanium?
The InChIKey is MSANHHHQJYQEOK-UHFFFAOYSA-O. The full InChI is InChI=1S/C8H14O/c1-6-3-7(2)5-8(9)4-6/h6-7H,3-5H2,1-2H3/p+1.
What are the key properties of (3,5-dimethylcyclohexylidene)oxidanium?
(3,5-dimethylcyclohexylidene)oxidanium has a molecular weight of 127.21 g/mol, XLogP of 1.99, 0 rotatable bonds, 0 hydrogen bond donors, and 0 hydrogen bond acceptors.
Where does this data come from?
All data for (3,5-dimethylcyclohexylidene)oxidanium is sourced from PubChem (CID 140563406), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).