tert-butyl-[6-methylidene-3-[(2-methylpropan-2-yl)oxy]cyclohexa-2,4-dien-1-ylidene]oxidanium

C15H23O2+ — CID 58525955

IUPACtert-butyl-[6-methylidene-3-[(2-methylpropan-2-yl)oxy]cyclohexa-2,4-dien-1-ylidene]oxidanium
SMILESC=C1C=CC(OC(C)(C)C)=C/C1=[O+]\C(C)(C)C
InChIInChI=1S/C15H23O2/c1-11-8-9-12(16-14(2,3)4)10-13(11)17-15(5,6)7/h8-10H,1H2,2-7H3/q+1
InChIKeyBTIVIUHVKIRJHA-UHFFFAOYSA-N
MW235.35 g/mol
LogP3.71
Rot. Bonds1

About tert-butyl-[6-methylidene-3-[(2-methylpropan-2-yl)oxy]cyclohexa-2,4-dien-1-ylidene]oxidanium

tert-butyl-[6-methylidene-3-[(2-methylpropan-2-yl)oxy]cyclohexa-2,4-dien-1-ylidene]oxidanium (PubChem CID 58525955) has the molecular formula C15H23O2+ and a molecular weight of 235.35 g/mol. Its IUPAC name is tert-butyl-[6-methylidene-3-[(2-methylpropan-2-yl)oxy]cyclohexa-2,4-dien-1-ylidene]oxidanium.

Molecular Properties

Compound Nametert-butyl-[6-methylidene-3-[(2-methylpropan-2-yl)oxy]cyclohexa-2,4-dien-1-ylidene]oxidanium
PubChem CID58525955
Molecular FormulaC15H23O2+
Molecular Weight235.35 g/mol
Exact Mass235.17
IUPAC Nametert-butyl-[6-methylidene-3-[(2-methylpropan-2-yl)oxy]cyclohexa-2,4-dien-1-ylidene]oxidanium
SMILESC=C1C=CC(OC(C)(C)C)=C/C1=[O+]\C(C)(C)C
InChIInChI=1S/C15H23O2/c1-11-8-9-12(16-14(2,3)4)10-13(11)17-15(5,6)7/h8-10H,1H2,2-7H3/q+1
InChIKeyBTIVIUHVKIRJHA-UHFFFAOYSA-N
XLogP3.71
TPSA20.53 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds1
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500235.35
LogP ≤ 53.71
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'}

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Frequently Asked Questions

What is the IUPAC name of tert-butyl-[6-methylidene-3-[(2-methylpropan-2-yl)oxy]cyclohexa-2,4-dien-1-ylidene]oxidanium?
The IUPAC name of tert-butyl-[6-methylidene-3-[(2-methylpropan-2-yl)oxy]cyclohexa-2,4-dien-1-ylidene]oxidanium (CID 58525955) is tert-butyl-[6-methylidene-3-[(2-methylpropan-2-yl)oxy]cyclohexa-2,4-dien-1-ylidene]oxidanium.
What is the SMILES notation for tert-butyl-[6-methylidene-3-[(2-methylpropan-2-yl)oxy]cyclohexa-2,4-dien-1-ylidene]oxidanium?
The canonical SMILES for tert-butyl-[6-methylidene-3-[(2-methylpropan-2-yl)oxy]cyclohexa-2,4-dien-1-ylidene]oxidanium is C=C1C=CC(OC(C)(C)C)=C/C1=[O+]\C(C)(C)C.
What is the InChIKey of tert-butyl-[6-methylidene-3-[(2-methylpropan-2-yl)oxy]cyclohexa-2,4-dien-1-ylidene]oxidanium?
The InChIKey is BTIVIUHVKIRJHA-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H23O2/c1-11-8-9-12(16-14(2,3)4)10-13(11)17-15(5,6)7/h8-10H,1H2,2-7H3/q+1.
What are the key properties of tert-butyl-[6-methylidene-3-[(2-methylpropan-2-yl)oxy]cyclohexa-2,4-dien-1-ylidene]oxidanium?
tert-butyl-[6-methylidene-3-[(2-methylpropan-2-yl)oxy]cyclohexa-2,4-dien-1-ylidene]oxidanium has a molecular weight of 235.35 g/mol, XLogP of 3.71, 1 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for tert-butyl-[6-methylidene-3-[(2-methylpropan-2-yl)oxy]cyclohexa-2,4-dien-1-ylidene]oxidanium is sourced from PubChem (CID 58525955), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).