4-(ethoxymethyl)-3,5-dimethoxy-4-propan-2-ylcyclohexene

C14H26O3 — CID 66930282

IUPAC4-(ethoxymethyl)-3,5-dimethoxy-4-propan-2-ylcyclohexene
SMILESCCOCC1(C(C)C)C(OC)C=CCC1OC
InChIInChI=1S/C14H26O3/c1-6-17-10-14(11(2)3)12(15-4)8-7-9-13(14)16-5/h7-8,11-13H,6,9-10H2,1-5H3
InChIKeyJSEZLWMHEOVDIH-UHFFFAOYSA-N
MW242.36 g/mol
LogP2.66
Rot. Bonds6

About 4-(ethoxymethyl)-3,5-dimethoxy-4-propan-2-ylcyclohexene

4-(ethoxymethyl)-3,5-dimethoxy-4-propan-2-ylcyclohexene (PubChem CID 66930282) has the molecular formula C14H26O3 and a molecular weight of 242.36 g/mol. Its IUPAC name is 4-(ethoxymethyl)-3,5-dimethoxy-4-propan-2-ylcyclohexene.

Molecular Properties

Compound Name4-(ethoxymethyl)-3,5-dimethoxy-4-propan-2-ylcyclohexene
PubChem CID66930282
Molecular FormulaC14H26O3
Molecular Weight242.36 g/mol
Exact Mass242.19
IUPAC Name4-(ethoxymethyl)-3,5-dimethoxy-4-propan-2-ylcyclohexene
SMILESCCOCC1(C(C)C)C(OC)C=CCC1OC
InChIInChI=1S/C14H26O3/c1-6-17-10-14(11(2)3)12(15-4)8-7-9-13(14)16-5/h7-8,11-13H,6,9-10H2,1-5H3
InChIKeyJSEZLWMHEOVDIH-UHFFFAOYSA-N
XLogP2.66
TPSA27.69 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500242.36
LogP ≤ 52.66
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'isolated_alkene', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of 4-(ethoxymethyl)-3,5-dimethoxy-4-propan-2-ylcyclohexene?
The IUPAC name of 4-(ethoxymethyl)-3,5-dimethoxy-4-propan-2-ylcyclohexene (CID 66930282) is 4-(ethoxymethyl)-3,5-dimethoxy-4-propan-2-ylcyclohexene.
What is the SMILES notation for 4-(ethoxymethyl)-3,5-dimethoxy-4-propan-2-ylcyclohexene?
The canonical SMILES for 4-(ethoxymethyl)-3,5-dimethoxy-4-propan-2-ylcyclohexene is CCOCC1(C(C)C)C(OC)C=CCC1OC.
What is the InChIKey of 4-(ethoxymethyl)-3,5-dimethoxy-4-propan-2-ylcyclohexene?
The InChIKey is JSEZLWMHEOVDIH-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H26O3/c1-6-17-10-14(11(2)3)12(15-4)8-7-9-13(14)16-5/h7-8,11-13H,6,9-10H2,1-5H3.
What are the key properties of 4-(ethoxymethyl)-3,5-dimethoxy-4-propan-2-ylcyclohexene?
4-(ethoxymethyl)-3,5-dimethoxy-4-propan-2-ylcyclohexene has a molecular weight of 242.36 g/mol, XLogP of 2.66, 6 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 4-(ethoxymethyl)-3,5-dimethoxy-4-propan-2-ylcyclohexene is sourced from PubChem (CID 66930282), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).