2-[2-(5-methyl-2-propan-2-ylcyclohexyl)oxyethyl]-1,3-dioxane

C16H30O3 — CID 66472138

IUPAC2-[2-(5-methyl-2-propan-2-ylcyclohexyl)oxyethyl]-1,3-dioxane
SMILESCC1CCC(C(C)C)C(OCCC2OCCCO2)C1
InChIInChI=1S/C16H30O3/c1-12(2)14-6-5-13(3)11-15(14)17-10-7-16-18-8-4-9-19-16/h12-16H,4-11H2,1-3H3
InChIKeyZPPNGDBDARRDDU-UHFFFAOYSA-N
MW270.41 g/mol
LogP3.62
Rot. Bonds5

About 2-[2-(5-methyl-2-propan-2-ylcyclohexyl)oxyethyl]-1,3-dioxane

2-[2-(5-methyl-2-propan-2-ylcyclohexyl)oxyethyl]-1,3-dioxane (PubChem CID 66472138) has the molecular formula C16H30O3 and a molecular weight of 270.41 g/mol. Its IUPAC name is 2-[2-(5-methyl-2-propan-2-ylcyclohexyl)oxyethyl]-1,3-dioxane.

Molecular Properties

Compound Name2-[2-(5-methyl-2-propan-2-ylcyclohexyl)oxyethyl]-1,3-dioxane
PubChem CID66472138
Molecular FormulaC16H30O3
Molecular Weight270.41 g/mol
Exact Mass270.22
IUPAC Name2-[2-(5-methyl-2-propan-2-ylcyclohexyl)oxyethyl]-1,3-dioxane
SMILESCC1CCC(C(C)C)C(OCCC2OCCCO2)C1
InChIInChI=1S/C16H30O3/c1-12(2)14-6-5-13(3)11-15(14)17-10-7-16-18-8-4-9-19-16/h12-16H,4-11H2,1-3H3
InChIKeyZPPNGDBDARRDDU-UHFFFAOYSA-N
XLogP3.62
TPSA27.69 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500270.41
LogP ≤ 53.62
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

Analyze 2-[2-(5-methyl-2-propan-2-ylcyclohexyl)oxyethyl]-1,3-dioxane with MolForge

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Related Compounds

2-[(2S,5R)-5-methyl-2-propan-2-ylcyclohexyl]oxyethanol
CID 11651336
2-[(1R,2S,5R)-5-methyl-2-propan-2-ylcyclohexyl]oxyethanethiol
CID 131866620
4-methyl-1-propan-2-yl-2-propoxycyclohexane
CID 54499043
3-(5-methyl-2-propan-2-ylcyclohexyl)oxypropan-1-ol
CID 16734861
(1S,2R,4R)-2-(2-bromoethoxy)-4-methyl-1-propan-2-ylcyclohexane
CID 22883721
N-(cyclopropylmethyl)-2-(5-methyl-2-propan-2-ylcyclohexyl)oxyethanamine
CID 62572050
(1S,2R,4R)-2-ethoxy-4-methyl-1-propan-2-ylcyclohexane
CID 11086237
(1S,2R,4R)-2-but-3-enoxy-4-methyl-1-propan-2-ylcyclohexane
CID 59927770
(1S,2R,4R)-2-(chloromethoxy)-4-methyl-1-propan-2-ylcyclohexane
CID 2724987
5-(5-methyl-2-propan-2-ylcyclohexyl)oxypentan-1-amine
CID 54966296
3-(5-methyl-2-propan-2-ylcyclohexyl)oxypropane-1-sulfonic acid
CID 87267060
fluoro-dimethyl-[(5-methyl-2-propan-2-ylcyclohexyl)oxymethyl]silane
CID 10988606

Frequently Asked Questions

What is the IUPAC name of 2-[2-(5-methyl-2-propan-2-ylcyclohexyl)oxyethyl]-1,3-dioxane?
The IUPAC name of 2-[2-(5-methyl-2-propan-2-ylcyclohexyl)oxyethyl]-1,3-dioxane (CID 66472138) is 2-[2-(5-methyl-2-propan-2-ylcyclohexyl)oxyethyl]-1,3-dioxane.
What is the SMILES notation for 2-[2-(5-methyl-2-propan-2-ylcyclohexyl)oxyethyl]-1,3-dioxane?
The canonical SMILES for 2-[2-(5-methyl-2-propan-2-ylcyclohexyl)oxyethyl]-1,3-dioxane is CC1CCC(C(C)C)C(OCCC2OCCCO2)C1.
What is the InChIKey of 2-[2-(5-methyl-2-propan-2-ylcyclohexyl)oxyethyl]-1,3-dioxane?
The InChIKey is ZPPNGDBDARRDDU-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H30O3/c1-12(2)14-6-5-13(3)11-15(14)17-10-7-16-18-8-4-9-19-16/h12-16H,4-11H2,1-3H3.
What are the key properties of 2-[2-(5-methyl-2-propan-2-ylcyclohexyl)oxyethyl]-1,3-dioxane?
2-[2-(5-methyl-2-propan-2-ylcyclohexyl)oxyethyl]-1,3-dioxane has a molecular weight of 270.41 g/mol, XLogP of 3.62, 5 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[2-(5-methyl-2-propan-2-ylcyclohexyl)oxyethyl]-1,3-dioxane is sourced from PubChem (CID 66472138), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).