6-(methoxymethoxymethyl)-2,6-dimethylcyclohexene-1-carbaldehyde

C12H20O3 — CID 14778493

IUPAC6-(methoxymethoxymethyl)-2,6-dimethylcyclohexene-1-carbaldehyde
SMILESCOCOCC1(C)CCCC(C)=C1C=O
InChIInChI=1S/C12H20O3/c1-10-5-4-6-12(2,11(10)7-13)8-15-9-14-3/h7H,4-6,8-9H2,1-3H3
InChIKeyPQEBQSQIMRSWGA-UHFFFAOYSA-N
MW212.29 g/mol
LogP2.31
Rot. Bonds5

About 6-(methoxymethoxymethyl)-2,6-dimethylcyclohexene-1-carbaldehyde

6-(methoxymethoxymethyl)-2,6-dimethylcyclohexene-1-carbaldehyde (PubChem CID 14778493) has the molecular formula C12H20O3 and a molecular weight of 212.29 g/mol. Its IUPAC name is 6-(methoxymethoxymethyl)-2,6-dimethylcyclohexene-1-carbaldehyde.

Molecular Properties

Compound Name6-(methoxymethoxymethyl)-2,6-dimethylcyclohexene-1-carbaldehyde
PubChem CID14778493
Molecular FormulaC12H20O3
Molecular Weight212.29 g/mol
Exact Mass212.14
IUPAC Name6-(methoxymethoxymethyl)-2,6-dimethylcyclohexene-1-carbaldehyde
SMILESCOCOCC1(C)CCCC(C)=C1C=O
InChIInChI=1S/C12H20O3/c1-10-5-4-6-12(2,11(10)7-13)8-15-9-14-3/h7H,4-6,8-9H2,1-3H3
InChIKeyPQEBQSQIMRSWGA-UHFFFAOYSA-N
XLogP2.31
TPSA35.53 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500212.29
LogP ≤ 52.31
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of 6-(methoxymethoxymethyl)-2,6-dimethylcyclohexene-1-carbaldehyde?
The IUPAC name of 6-(methoxymethoxymethyl)-2,6-dimethylcyclohexene-1-carbaldehyde (CID 14778493) is 6-(methoxymethoxymethyl)-2,6-dimethylcyclohexene-1-carbaldehyde.
What is the SMILES notation for 6-(methoxymethoxymethyl)-2,6-dimethylcyclohexene-1-carbaldehyde?
The canonical SMILES for 6-(methoxymethoxymethyl)-2,6-dimethylcyclohexene-1-carbaldehyde is COCOCC1(C)CCCC(C)=C1C=O.
What is the InChIKey of 6-(methoxymethoxymethyl)-2,6-dimethylcyclohexene-1-carbaldehyde?
The InChIKey is PQEBQSQIMRSWGA-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H20O3/c1-10-5-4-6-12(2,11(10)7-13)8-15-9-14-3/h7H,4-6,8-9H2,1-3H3.
What are the key properties of 6-(methoxymethoxymethyl)-2,6-dimethylcyclohexene-1-carbaldehyde?
6-(methoxymethoxymethyl)-2,6-dimethylcyclohexene-1-carbaldehyde has a molecular weight of 212.29 g/mol, XLogP of 2.31, 5 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 6-(methoxymethoxymethyl)-2,6-dimethylcyclohexene-1-carbaldehyde is sourced from PubChem (CID 14778493), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).