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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Related Compounds

1-ethyl-1,4-dimethylcycloheptane
CID 91266372
2,2-difluoro-5-[2-(4-propylcyclohexyl)ethyl]-1,3-dioxane
CID 59875976
1,3,7-trimethyl-1-propylcyclononane
CID 123829205
1-butyl-1,3-dimethylcyclopentane
CID 123273889
(7R)-7-methyl-2-propylspiro[3.4]octane
CID 167622159
3-(1,4-dimethylcyclohexyl)propanal
CID 167495572
4-propyldioxolane
CID 174817920
14,14-dichloro-3-methyl-11-propyldispiro[5.1.58.16]tetradecane
CID 18633778
1,3,6-trimethyl-9-propylcycloundecane
CID 123524783
1-methyl-4-(4-propylcyclohexyl)cyclohexane
CID 543958
2-(2,5-dimethyl-1,3-dioxan-2-yl)ethanamine
CID 115062827
1-methyl-5-propylcyclononane
CID 54361658

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).