2-[2-(1,4-dimethylcyclohexyl)ethyl]-2-methyl-5-propyl-1,3-dioxane

C18H34O2 — CID 20693718

IUPAC2-[2-(1,4-dimethylcyclohexyl)ethyl]-2-methyl-5-propyl-1,3-dioxane
SMILESCCCC1COC(C)(CCC2(C)CCC(C)CC2)OC1
InChIInChI=1S/C18H34O2/c1-5-6-16-13-19-18(4,20-14-16)12-11-17(3)9-7-15(2)8-10-17/h15-16H,5-14H2,1-4H3
InChIKeyLMOXCEKNBKSPPB-UHFFFAOYSA-N
MW282.47 g/mol
LogP5.16
Rot. Bonds5

About 2-[2-(1,4-dimethylcyclohexyl)ethyl]-2-methyl-5-propyl-1,3-dioxane

2-[2-(1,4-dimethylcyclohexyl)ethyl]-2-methyl-5-propyl-1,3-dioxane (PubChem CID 20693718) has the molecular formula C18H34O2 and a molecular weight of 282.47 g/mol. Its IUPAC name is 2-[2-(1,4-dimethylcyclohexyl)ethyl]-2-methyl-5-propyl-1,3-dioxane.

Molecular Properties

Compound Name2-[2-(1,4-dimethylcyclohexyl)ethyl]-2-methyl-5-propyl-1,3-dioxane
PubChem CID20693718
Molecular FormulaC18H34O2
Molecular Weight282.47 g/mol
Exact Mass282.26
IUPAC Name2-[2-(1,4-dimethylcyclohexyl)ethyl]-2-methyl-5-propyl-1,3-dioxane
SMILESCCCC1COC(C)(CCC2(C)CCC(C)CC2)OC1
InChIInChI=1S/C18H34O2/c1-5-6-16-13-19-18(4,20-14-16)12-11-17(3)9-7-15(2)8-10-17/h15-16H,5-14H2,1-4H3
InChIKeyLMOXCEKNBKSPPB-UHFFFAOYSA-N
XLogP5.16
TPSA18.46 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds5
Heavy Atoms20
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500282.47
LogP ≤ 55.16
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of 2-[2-(1,4-dimethylcyclohexyl)ethyl]-2-methyl-5-propyl-1,3-dioxane?
The IUPAC name of 2-[2-(1,4-dimethylcyclohexyl)ethyl]-2-methyl-5-propyl-1,3-dioxane (CID 20693718) is 2-[2-(1,4-dimethylcyclohexyl)ethyl]-2-methyl-5-propyl-1,3-dioxane.
What is the SMILES notation for 2-[2-(1,4-dimethylcyclohexyl)ethyl]-2-methyl-5-propyl-1,3-dioxane?
The canonical SMILES for 2-[2-(1,4-dimethylcyclohexyl)ethyl]-2-methyl-5-propyl-1,3-dioxane is CCCC1COC(C)(CCC2(C)CCC(C)CC2)OC1.
What is the InChIKey of 2-[2-(1,4-dimethylcyclohexyl)ethyl]-2-methyl-5-propyl-1,3-dioxane?
The InChIKey is LMOXCEKNBKSPPB-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H34O2/c1-5-6-16-13-19-18(4,20-14-16)12-11-17(3)9-7-15(2)8-10-17/h15-16H,5-14H2,1-4H3.
What are the key properties of 2-[2-(1,4-dimethylcyclohexyl)ethyl]-2-methyl-5-propyl-1,3-dioxane?
2-[2-(1,4-dimethylcyclohexyl)ethyl]-2-methyl-5-propyl-1,3-dioxane has a molecular weight of 282.47 g/mol, XLogP of 5.16, 5 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[2-(1,4-dimethylcyclohexyl)ethyl]-2-methyl-5-propyl-1,3-dioxane is sourced from PubChem (CID 20693718), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).