[2-(dimethoxymethylidene)cyclohexylidene]methanone

C10H14O3 — CID 144902265

IUPAC[2-(dimethoxymethylidene)cyclohexylidene]methanone
SMILESCOC(OC)=C1CCCCC1=C=O
InChIInChI=1S/C10H14O3/c1-12-10(13-2)9-6-4-3-5-8(9)7-11/h3-6H2,1-2H3
InChIKeyUVZCZTNLKGSXJT-UHFFFAOYSA-N
MW182.22 g/mol
LogP1.82
Rot. Bonds2

About [2-(dimethoxymethylidene)cyclohexylidene]methanone

[2-(dimethoxymethylidene)cyclohexylidene]methanone (PubChem CID 144902265) has the molecular formula C10H14O3 and a molecular weight of 182.22 g/mol. Its IUPAC name is [2-(dimethoxymethylidene)cyclohexylidene]methanone.

Molecular Properties

Compound Name[2-(dimethoxymethylidene)cyclohexylidene]methanone
PubChem CID144902265
Molecular FormulaC10H14O3
Molecular Weight182.22 g/mol
Exact Mass182.09
IUPAC Name[2-(dimethoxymethylidene)cyclohexylidene]methanone
SMILESCOC(OC)=C1CCCCC1=C=O
InChIInChI=1S/C10H14O3/c1-12-10(13-2)9-6-4-3-5-8(9)7-11/h3-6H2,1-2H3
InChIKeyUVZCZTNLKGSXJT-UHFFFAOYSA-N
XLogP1.82
TPSA35.53 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500182.22
LogP ≤ 51.82
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'acyclic_C=C-O', 'substructure': 'N/A'}, {'alert_name': 'ketene', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of [2-(dimethoxymethylidene)cyclohexylidene]methanone?
The IUPAC name of [2-(dimethoxymethylidene)cyclohexylidene]methanone (CID 144902265) is [2-(dimethoxymethylidene)cyclohexylidene]methanone.
What is the SMILES notation for [2-(dimethoxymethylidene)cyclohexylidene]methanone?
The canonical SMILES for [2-(dimethoxymethylidene)cyclohexylidene]methanone is COC(OC)=C1CCCCC1=C=O.
What is the InChIKey of [2-(dimethoxymethylidene)cyclohexylidene]methanone?
The InChIKey is UVZCZTNLKGSXJT-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H14O3/c1-12-10(13-2)9-6-4-3-5-8(9)7-11/h3-6H2,1-2H3.
What are the key properties of [2-(dimethoxymethylidene)cyclohexylidene]methanone?
[2-(dimethoxymethylidene)cyclohexylidene]methanone has a molecular weight of 182.22 g/mol, XLogP of 1.82, 2 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for [2-(dimethoxymethylidene)cyclohexylidene]methanone is sourced from PubChem (CID 144902265), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).