methyl-(4-propan-2-ylidenecyclohexa-2,5-dien-1-ylidene)oxidanium

C10H13O+ — CID 11357107

IUPACmethyl-(4-propan-2-ylidenecyclohexa-2,5-dien-1-ylidene)oxidanium
SMILESC[O+]=C1C=CC(=C(C)C)C=C1
InChIInChI=1S/C10H13O/c1-8(2)9-4-6-10(11-3)7-5-9/h4-7H,1-3H3/q+1
InChIKeyAZBKRYQVGMETKH-UHFFFAOYSA-N
MW149.21 g/mol
LogP2.18
Rot. Bonds

About methyl-(4-propan-2-ylidenecyclohexa-2,5-dien-1-ylidene)oxidanium

methyl-(4-propan-2-ylidenecyclohexa-2,5-dien-1-ylidene)oxidanium (PubChem CID 11357107) has the molecular formula C10H13O+ and a molecular weight of 149.21 g/mol. Its IUPAC name is methyl-(4-propan-2-ylidenecyclohexa-2,5-dien-1-ylidene)oxidanium.

Molecular Properties

Compound Namemethyl-(4-propan-2-ylidenecyclohexa-2,5-dien-1-ylidene)oxidanium
PubChem CID11357107
Molecular FormulaC10H13O+
Molecular Weight149.21 g/mol
Exact Mass149.10
IUPAC Namemethyl-(4-propan-2-ylidenecyclohexa-2,5-dien-1-ylidene)oxidanium
SMILESC[O+]=C1C=CC(=C(C)C)C=C1
InChIInChI=1S/C10H13O/c1-8(2)9-4-6-10(11-3)7-5-9/h4-7H,1-3H3/q+1
InChIKeyAZBKRYQVGMETKH-UHFFFAOYSA-N
XLogP2.18
TPSA11.30 Ų
H-Bond Donors
H-Bond Acceptors
Rotatable Bonds
Heavy Atoms11
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500149.21
LogP ≤ 52.18
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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Frequently Asked Questions

What is the IUPAC name of methyl-(4-propan-2-ylidenecyclohexa-2,5-dien-1-ylidene)oxidanium?
The IUPAC name of methyl-(4-propan-2-ylidenecyclohexa-2,5-dien-1-ylidene)oxidanium (CID 11357107) is methyl-(4-propan-2-ylidenecyclohexa-2,5-dien-1-ylidene)oxidanium.
What is the SMILES notation for methyl-(4-propan-2-ylidenecyclohexa-2,5-dien-1-ylidene)oxidanium?
The canonical SMILES for methyl-(4-propan-2-ylidenecyclohexa-2,5-dien-1-ylidene)oxidanium is C[O+]=C1C=CC(=C(C)C)C=C1.
What is the InChIKey of methyl-(4-propan-2-ylidenecyclohexa-2,5-dien-1-ylidene)oxidanium?
The InChIKey is AZBKRYQVGMETKH-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H13O/c1-8(2)9-4-6-10(11-3)7-5-9/h4-7H,1-3H3/q+1.
What are the key properties of methyl-(4-propan-2-ylidenecyclohexa-2,5-dien-1-ylidene)oxidanium?
methyl-(4-propan-2-ylidenecyclohexa-2,5-dien-1-ylidene)oxidanium has a molecular weight of 149.21 g/mol, XLogP of 2.18, 0 rotatable bonds, 0 hydrogen bond donors, and 0 hydrogen bond acceptors.
Where does this data come from?
All data for methyl-(4-propan-2-ylidenecyclohexa-2,5-dien-1-ylidene)oxidanium is sourced from PubChem (CID 11357107), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).