4-(diethoxymethyl)-1,2-dimethylcyclohexene

C13H24O2 — CID 11390223

IUPAC4-(diethoxymethyl)-1,2-dimethylcyclohexene
SMILESCCOC(OCC)C1CCC(C)=C(C)C1
InChIInChI=1S/C13H24O2/c1-5-14-13(15-6-2)12-8-7-10(3)11(4)9-12/h12-13H,5-9H2,1-4H3
InChIKeyBPHAFDNKESYJFA-UHFFFAOYSA-N
MW212.33 g/mol
LogP3.52
Rot. Bonds5

About 4-(diethoxymethyl)-1,2-dimethylcyclohexene

4-(diethoxymethyl)-1,2-dimethylcyclohexene (PubChem CID 11390223) has the molecular formula C13H24O2 and a molecular weight of 212.33 g/mol. Its IUPAC name is 4-(diethoxymethyl)-1,2-dimethylcyclohexene.

Molecular Properties

Compound Name4-(diethoxymethyl)-1,2-dimethylcyclohexene
PubChem CID11390223
Molecular FormulaC13H24O2
Molecular Weight212.33 g/mol
Exact Mass212.18
IUPAC Name4-(diethoxymethyl)-1,2-dimethylcyclohexene
SMILESCCOC(OCC)C1CCC(C)=C(C)C1
InChIInChI=1S/C13H24O2/c1-5-14-13(15-6-2)12-8-7-10(3)11(4)9-12/h12-13H,5-9H2,1-4H3
InChIKeyBPHAFDNKESYJFA-UHFFFAOYSA-N
XLogP3.52
TPSA18.46 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds5
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500212.33
LogP ≤ 53.52
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'het-C-het_not_in_ring', 'substructure': 'N/A'}, {'alert_name': 'isolated_alkene', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of 4-(diethoxymethyl)-1,2-dimethylcyclohexene?
The IUPAC name of 4-(diethoxymethyl)-1,2-dimethylcyclohexene (CID 11390223) is 4-(diethoxymethyl)-1,2-dimethylcyclohexene.
What is the SMILES notation for 4-(diethoxymethyl)-1,2-dimethylcyclohexene?
The canonical SMILES for 4-(diethoxymethyl)-1,2-dimethylcyclohexene is CCOC(OCC)C1CCC(C)=C(C)C1.
What is the InChIKey of 4-(diethoxymethyl)-1,2-dimethylcyclohexene?
The InChIKey is BPHAFDNKESYJFA-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H24O2/c1-5-14-13(15-6-2)12-8-7-10(3)11(4)9-12/h12-13H,5-9H2,1-4H3.
What are the key properties of 4-(diethoxymethyl)-1,2-dimethylcyclohexene?
4-(diethoxymethyl)-1,2-dimethylcyclohexene has a molecular weight of 212.33 g/mol, XLogP of 3.52, 5 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 4-(diethoxymethyl)-1,2-dimethylcyclohexene is sourced from PubChem (CID 11390223), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).