(6E)-6-(2-methoxypropylidene)cyclohexa-2,4-dien-1-one

C10H12O2 — CID 134963357

IUPAC(6E)-6-(2-methoxypropylidene)cyclohexa-2,4-dien-1-one
SMILESCOC(C)/C=C1\C=CC=CC1=O
InChIInChI=1S/C10H12O2/c1-8(12-2)7-9-5-3-4-6-10(9)11/h3-8H,1-2H3/b9-7+
InChIKeyYTDGPLFUWCYQED-VQHVLOKHSA-N
MW164.20 g/mol
LogP1.64
Rot. Bonds2

About (6E)-6-(2-methoxypropylidene)cyclohexa-2,4-dien-1-one

(6E)-6-(2-methoxypropylidene)cyclohexa-2,4-dien-1-one (PubChem CID 134963357) has the molecular formula C10H12O2 and a molecular weight of 164.20 g/mol. Its IUPAC name is (6E)-6-(2-methoxypropylidene)cyclohexa-2,4-dien-1-one.

Molecular Properties

Compound Name(6E)-6-(2-methoxypropylidene)cyclohexa-2,4-dien-1-one
PubChem CID134963357
Molecular FormulaC10H12O2
Molecular Weight164.20 g/mol
Exact Mass164.08
IUPAC Name(6E)-6-(2-methoxypropylidene)cyclohexa-2,4-dien-1-one
SMILESCOC(C)/C=C1\C=CC=CC1=O
InChIInChI=1S/C10H12O2/c1-8(12-2)7-9-5-3-4-6-10(9)11/h3-8H,1-2H3/b9-7+
InChIKeyYTDGPLFUWCYQED-VQHVLOKHSA-N
XLogP1.64
TPSA26.30 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms12
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500164.20
LogP ≤ 51.64
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 (6E)-6-(2-methoxypropylidene)cyclohexa-2,4-dien-1-one?
The IUPAC name of (6E)-6-(2-methoxypropylidene)cyclohexa-2,4-dien-1-one (CID 134963357) is (6E)-6-(2-methoxypropylidene)cyclohexa-2,4-dien-1-one.
What is the SMILES notation for (6E)-6-(2-methoxypropylidene)cyclohexa-2,4-dien-1-one?
The canonical SMILES for (6E)-6-(2-methoxypropylidene)cyclohexa-2,4-dien-1-one is COC(C)/C=C1\C=CC=CC1=O.
What is the InChIKey of (6E)-6-(2-methoxypropylidene)cyclohexa-2,4-dien-1-one?
The InChIKey is YTDGPLFUWCYQED-VQHVLOKHSA-N. The full InChI is InChI=1S/C10H12O2/c1-8(12-2)7-9-5-3-4-6-10(9)11/h3-8H,1-2H3/b9-7+.
What are the key properties of (6E)-6-(2-methoxypropylidene)cyclohexa-2,4-dien-1-one?
(6E)-6-(2-methoxypropylidene)cyclohexa-2,4-dien-1-one has a molecular weight of 164.20 g/mol, XLogP of 1.64, 2 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for (6E)-6-(2-methoxypropylidene)cyclohexa-2,4-dien-1-one is sourced from PubChem (CID 134963357), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).