(3-methoxy-4,6-dimethylidenecyclohex-2-en-1-ylidene)-methyloxidanium

C10H13O2+ — CID 101255658

IUPAC(3-methoxy-4,6-dimethylidenecyclohex-2-en-1-ylidene)-methyloxidanium
SMILESC=C1CC(=C)/C(=[O+]/C)C=C1OC
InChIInChI=1S/C10H13O2/c1-7-5-8(2)10(12-4)6-9(7)11-3/h6H,1-2,5H2,3-4H3/q+1
InChIKeyCANSEQZRHSMBQM-UHFFFAOYSA-N
MW165.21 g/mol
LogP1.77
Rot. Bonds1

About (3-methoxy-4,6-dimethylidenecyclohex-2-en-1-ylidene)-methyloxidanium

(3-methoxy-4,6-dimethylidenecyclohex-2-en-1-ylidene)-methyloxidanium (PubChem CID 101255658) has the molecular formula C10H13O2+ and a molecular weight of 165.21 g/mol. Its IUPAC name is (3-methoxy-4,6-dimethylidenecyclohex-2-en-1-ylidene)-methyloxidanium.

Molecular Properties

Compound Name(3-methoxy-4,6-dimethylidenecyclohex-2-en-1-ylidene)-methyloxidanium
PubChem CID101255658
Molecular FormulaC10H13O2+
Molecular Weight165.21 g/mol
Exact Mass165.09
IUPAC Name(3-methoxy-4,6-dimethylidenecyclohex-2-en-1-ylidene)-methyloxidanium
SMILESC=C1CC(=C)/C(=[O+]/C)C=C1OC
InChIInChI=1S/C10H13O2/c1-7-5-8(2)10(12-4)6-9(7)11-3/h6H,1-2,5H2,3-4H3/q+1
InChIKeyCANSEQZRHSMBQM-UHFFFAOYSA-N
XLogP1.77
TPSA20.53 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds1
Heavy Atoms12
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500165.21
LogP ≤ 51.77
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': 'Michael_acceptor_1', 'substructure': 'N/A'}

Analyze (3-methoxy-4,6-dimethylidenecyclohex-2-en-1-ylidene)-methyloxidanium with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

4-Methoxy-6-methyl-5-(3-oxobutyl)-2h-pyran-2-one
CID 102367320
5-Methoxy-toluchinon
CID 101141524
1-[4-(Trifluoromethoxy)cyclohexa-1,3-dien-1-yl]ethanone
CID 154553222
3-(3-Methylbut-2-enoxy)cyclohex-2-en-1-one
CID 102168115
2-(2-Methylprop-2-enoxy)cyclohex-2-en-1-one
CID 13213076
1-(4-Methoxycyclohexa-1,3-dien-1-yl)ethanone
CID 14220097
4-Methoxy-3,6-dimethylcyclohexa-3,5-diene-1,2-dione
CID 17969792
4-Butoxy-3,6-dimethylcyclohexa-3,5-diene-1,2-dione
CID 17970147
3,6-Dimethyl-4-propoxycyclohexa-3,5-diene-1,2-dione
CID 17970331
4-Ethoxy-3,6-dimethylcyclohexa-3,5-diene-1,2-dione
CID 17971099
1-(4-Hydroxy-3-methoxycyclohexa-1,3-dien-1-yl)ethanone
CID 19350669
4-Methoxy-2-methyl-6-methylidenecyclohexa-2,4-dien-1-one
CID 22961580

Frequently Asked Questions

What is the IUPAC name of (3-methoxy-4,6-dimethylidenecyclohex-2-en-1-ylidene)-methyloxidanium?
The IUPAC name of (3-methoxy-4,6-dimethylidenecyclohex-2-en-1-ylidene)-methyloxidanium (CID 101255658) is (3-methoxy-4,6-dimethylidenecyclohex-2-en-1-ylidene)-methyloxidanium.
What is the SMILES notation for (3-methoxy-4,6-dimethylidenecyclohex-2-en-1-ylidene)-methyloxidanium?
The canonical SMILES for (3-methoxy-4,6-dimethylidenecyclohex-2-en-1-ylidene)-methyloxidanium is C=C1CC(=C)/C(=[O+]/C)C=C1OC.
What is the InChIKey of (3-methoxy-4,6-dimethylidenecyclohex-2-en-1-ylidene)-methyloxidanium?
The InChIKey is CANSEQZRHSMBQM-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H13O2/c1-7-5-8(2)10(12-4)6-9(7)11-3/h6H,1-2,5H2,3-4H3/q+1.
What are the key properties of (3-methoxy-4,6-dimethylidenecyclohex-2-en-1-ylidene)-methyloxidanium?
(3-methoxy-4,6-dimethylidenecyclohex-2-en-1-ylidene)-methyloxidanium has a molecular weight of 165.21 g/mol, XLogP of 1.77, 1 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for (3-methoxy-4,6-dimethylidenecyclohex-2-en-1-ylidene)-methyloxidanium is sourced from PubChem (CID 101255658), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).