(6Z)-2,2-dimethyl-6-(propan-2-yloxymethylidene)cyclohexan-1-one

C12H20O2 — CID 24976596

IUPAC(6Z)-2,2-dimethyl-6-(propan-2-yloxymethylidene)cyclohexan-1-one
SMILESCC(C)O/C=C1/CCCC(C)(C)C1=O
InChIInChI=1S/C12H20O2/c1-9(2)14-8-10-6-5-7-12(3,4)11(10)13/h8-9H,5-7H2,1-4H3/b10-8-
InChIKeyDEGZLYXEPARTGU-NTMALXAHSA-N
MW196.29 g/mol
LogP3.07
Rot. Bonds2

About (6Z)-2,2-dimethyl-6-(propan-2-yloxymethylidene)cyclohexan-1-one

(6Z)-2,2-dimethyl-6-(propan-2-yloxymethylidene)cyclohexan-1-one (PubChem CID 24976596) has the molecular formula C12H20O2 and a molecular weight of 196.29 g/mol. Its IUPAC name is (6Z)-2,2-dimethyl-6-(propan-2-yloxymethylidene)cyclohexan-1-one.

Molecular Properties

Compound Name(6Z)-2,2-dimethyl-6-(propan-2-yloxymethylidene)cyclohexan-1-one
PubChem CID24976596
Molecular FormulaC12H20O2
Molecular Weight196.29 g/mol
Exact Mass196.15
IUPAC Name(6Z)-2,2-dimethyl-6-(propan-2-yloxymethylidene)cyclohexan-1-one
SMILESCC(C)O/C=C1/CCCC(C)(C)C1=O
InChIInChI=1S/C12H20O2/c1-9(2)14-8-10-6-5-7-12(3,4)11(10)13/h8-9H,5-7H2,1-4H3/b10-8-
InChIKeyDEGZLYXEPARTGU-NTMALXAHSA-N
XLogP3.07
TPSA26.30 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500196.29
LogP ≤ 53.07
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'acyclic_C=C-O', 'substructure': 'N/A'}, {'alert_name': 'Michael_acceptor_1', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of (6Z)-2,2-dimethyl-6-(propan-2-yloxymethylidene)cyclohexan-1-one?
The IUPAC name of (6Z)-2,2-dimethyl-6-(propan-2-yloxymethylidene)cyclohexan-1-one (CID 24976596) is (6Z)-2,2-dimethyl-6-(propan-2-yloxymethylidene)cyclohexan-1-one.
What is the SMILES notation for (6Z)-2,2-dimethyl-6-(propan-2-yloxymethylidene)cyclohexan-1-one?
The canonical SMILES for (6Z)-2,2-dimethyl-6-(propan-2-yloxymethylidene)cyclohexan-1-one is CC(C)O/C=C1/CCCC(C)(C)C1=O.
What is the InChIKey of (6Z)-2,2-dimethyl-6-(propan-2-yloxymethylidene)cyclohexan-1-one?
The InChIKey is DEGZLYXEPARTGU-NTMALXAHSA-N. The full InChI is InChI=1S/C12H20O2/c1-9(2)14-8-10-6-5-7-12(3,4)11(10)13/h8-9H,5-7H2,1-4H3/b10-8-.
What are the key properties of (6Z)-2,2-dimethyl-6-(propan-2-yloxymethylidene)cyclohexan-1-one?
(6Z)-2,2-dimethyl-6-(propan-2-yloxymethylidene)cyclohexan-1-one has a molecular weight of 196.29 g/mol, XLogP of 3.07, 2 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for (6Z)-2,2-dimethyl-6-(propan-2-yloxymethylidene)cyclohexan-1-one is sourced from PubChem (CID 24976596), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).