(6Z)-3-methoxy-6-(3-methylbut-2-enylidene)cyclohexa-2,4-dien-1-one

C12H14O2 — CID 134876283

IUPAC(6Z)-3-methoxy-6-(3-methylbut-2-enylidene)cyclohexa-2,4-dien-1-one
SMILESCC(=C/C=C\1/C=CC(=CC1=O)OC)C
InChIInChI=1S/C12H14O2/c1-9(2)4-5-10-6-7-11(14-3)8-12(10)13/h4-8H,1-3H3/b10-5-
InChIKeyIVFPQKNCTKKBJT-YHYXMXQVSA-N
MW190.24 g/mol
LogP2.90
Rot. Bonds2

About (6Z)-3-methoxy-6-(3-methylbut-2-enylidene)cyclohexa-2,4-dien-1-one

(6Z)-3-methoxy-6-(3-methylbut-2-enylidene)cyclohexa-2,4-dien-1-one (PubChem CID 134876283) has the molecular formula C12H14O2 and a molecular weight of 190.24 g/mol. Its IUPAC name is (6Z)-3-methoxy-6-(3-methylbut-2-enylidene)cyclohexa-2,4-dien-1-one.

Molecular Properties

Compound Name(6Z)-3-methoxy-6-(3-methylbut-2-enylidene)cyclohexa-2,4-dien-1-one
PubChem CID134876283
Molecular FormulaC12H14O2
Molecular Weight190.24 g/mol
Exact Mass190.10
IUPAC Name(6Z)-3-methoxy-6-(3-methylbut-2-enylidene)cyclohexa-2,4-dien-1-one
SMILESCC(=C/C=C\1/C=CC(=CC1=O)OC)C
InChIInChI=1S/C12H14O2/c1-9(2)4-5-10-6-7-11(14-3)8-12(10)13/h4-8H,1-3H3/b10-5-
InChIKeyIVFPQKNCTKKBJT-YHYXMXQVSA-N
XLogP2.90
TPSA26.30 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms14
Complexity351

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500190.24
LogP ≤ 52.90
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Michael_acceptor_1', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of (6Z)-3-methoxy-6-(3-methylbut-2-enylidene)cyclohexa-2,4-dien-1-one?
The IUPAC name of (6Z)-3-methoxy-6-(3-methylbut-2-enylidene)cyclohexa-2,4-dien-1-one (CID 134876283) is (6Z)-3-methoxy-6-(3-methylbut-2-enylidene)cyclohexa-2,4-dien-1-one.
What is the SMILES notation for (6Z)-3-methoxy-6-(3-methylbut-2-enylidene)cyclohexa-2,4-dien-1-one?
The canonical SMILES for (6Z)-3-methoxy-6-(3-methylbut-2-enylidene)cyclohexa-2,4-dien-1-one is CC(=C/C=C\1/C=CC(=CC1=O)OC)C.
What is the InChIKey of (6Z)-3-methoxy-6-(3-methylbut-2-enylidene)cyclohexa-2,4-dien-1-one?
The InChIKey is IVFPQKNCTKKBJT-YHYXMXQVSA-N. The full InChI is InChI=1S/C12H14O2/c1-9(2)4-5-10-6-7-11(14-3)8-12(10)13/h4-8H,1-3H3/b10-5-.
What are the key properties of (6Z)-3-methoxy-6-(3-methylbut-2-enylidene)cyclohexa-2,4-dien-1-one?
(6Z)-3-methoxy-6-(3-methylbut-2-enylidene)cyclohexa-2,4-dien-1-one has a molecular weight of 190.24 g/mol, XLogP of 2.90, 2 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for (6Z)-3-methoxy-6-(3-methylbut-2-enylidene)cyclohexa-2,4-dien-1-one is sourced from PubChem (CID 134876283), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).