ethyl-(6-methylidene-3-propan-2-yloxycyclohexa-2,4-dien-1-ylidene)oxidanium

C12H17O2+ — CID 91294945

IUPACethyl-(6-methylidene-3-propan-2-yloxycyclohexa-2,4-dien-1-ylidene)oxidanium
SMILESC=C1C=CC(OC(C)C)=C/C1=[O+]\CC
InChIInChI=1S/C12H17O2/c1-5-13-12-8-11(14-9(2)3)7-6-10(12)4/h6-9H,4-5H2,1-3H3/q+1
InChIKeyZWJUSWYFWJOEJQ-UHFFFAOYSA-N
MW193.27 g/mol
LogP2.55
Rot. Bonds3

About ethyl-(6-methylidene-3-propan-2-yloxycyclohexa-2,4-dien-1-ylidene)oxidanium

ethyl-(6-methylidene-3-propan-2-yloxycyclohexa-2,4-dien-1-ylidene)oxidanium (PubChem CID 91294945) has the molecular formula C12H17O2+ and a molecular weight of 193.27 g/mol. Its IUPAC name is ethyl-(6-methylidene-3-propan-2-yloxycyclohexa-2,4-dien-1-ylidene)oxidanium.

Molecular Properties

Compound Nameethyl-(6-methylidene-3-propan-2-yloxycyclohexa-2,4-dien-1-ylidene)oxidanium
PubChem CID91294945
Molecular FormulaC12H17O2+
Molecular Weight193.27 g/mol
Exact Mass193.12
IUPAC Nameethyl-(6-methylidene-3-propan-2-yloxycyclohexa-2,4-dien-1-ylidene)oxidanium
SMILESC=C1C=CC(OC(C)C)=C/C1=[O+]\CC
InChIInChI=1S/C12H17O2/c1-5-13-12-8-11(14-9(2)3)7-6-10(12)4/h6-9H,4-5H2,1-3H3/q+1
InChIKeyZWJUSWYFWJOEJQ-UHFFFAOYSA-N
XLogP2.55
TPSA20.53 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds3
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500193.27
LogP ≤ 52.55
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 ethyl-(6-methylidene-3-propan-2-yloxycyclohexa-2,4-dien-1-ylidene)oxidanium?
The IUPAC name of ethyl-(6-methylidene-3-propan-2-yloxycyclohexa-2,4-dien-1-ylidene)oxidanium (CID 91294945) is ethyl-(6-methylidene-3-propan-2-yloxycyclohexa-2,4-dien-1-ylidene)oxidanium.
What is the SMILES notation for ethyl-(6-methylidene-3-propan-2-yloxycyclohexa-2,4-dien-1-ylidene)oxidanium?
The canonical SMILES for ethyl-(6-methylidene-3-propan-2-yloxycyclohexa-2,4-dien-1-ylidene)oxidanium is C=C1C=CC(OC(C)C)=C/C1=[O+]\CC.
What is the InChIKey of ethyl-(6-methylidene-3-propan-2-yloxycyclohexa-2,4-dien-1-ylidene)oxidanium?
The InChIKey is ZWJUSWYFWJOEJQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H17O2/c1-5-13-12-8-11(14-9(2)3)7-6-10(12)4/h6-9H,4-5H2,1-3H3/q+1.
What are the key properties of ethyl-(6-methylidene-3-propan-2-yloxycyclohexa-2,4-dien-1-ylidene)oxidanium?
ethyl-(6-methylidene-3-propan-2-yloxycyclohexa-2,4-dien-1-ylidene)oxidanium has a molecular weight of 193.27 g/mol, XLogP of 2.55, 3 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for ethyl-(6-methylidene-3-propan-2-yloxycyclohexa-2,4-dien-1-ylidene)oxidanium is sourced from PubChem (CID 91294945), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).