2-cyclohexyl-4,6-dimethyl-1,3,5-trioxane

C11H20O3 — CID 85404965

IUPAC2-cyclohexyl-4,6-dimethyl-1,3,5-trioxane
SMILESCC1OC(C)OC(C2CCCCC2)O1
InChIInChI=1S/C11H20O3/c1-8-12-9(2)14-11(13-8)10-6-4-3-5-7-10/h8-11H,3-7H2,1-2H3
InChIKeyNMLLRTHNXDWTMB-UHFFFAOYSA-N
MW200.28 g/mol
LogP2.65
Rot. Bonds1

About 2-cyclohexyl-4,6-dimethyl-1,3,5-trioxane

2-cyclohexyl-4,6-dimethyl-1,3,5-trioxane (PubChem CID 85404965) has the molecular formula C11H20O3 and a molecular weight of 200.28 g/mol. Its IUPAC name is 2-cyclohexyl-4,6-dimethyl-1,3,5-trioxane.

Molecular Properties

Compound Name2-cyclohexyl-4,6-dimethyl-1,3,5-trioxane
PubChem CID85404965
Molecular FormulaC11H20O3
Molecular Weight200.28 g/mol
Exact Mass200.14
IUPAC Name2-cyclohexyl-4,6-dimethyl-1,3,5-trioxane
SMILESCC1OC(C)OC(C2CCCCC2)O1
InChIInChI=1S/C11H20O3/c1-8-12-9(2)14-11(13-8)10-6-4-3-5-7-10/h8-11H,3-7H2,1-2H3
InChIKeyNMLLRTHNXDWTMB-UHFFFAOYSA-N
XLogP2.65
TPSA27.69 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds1
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500200.28
LogP ≤ 52.65
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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Related Compounds

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dimethyl 2-cyclohexyl-1,3-dioxolane-4,5-dicarboxylate
CID 604949
(2S,3R)-2,3-dicyclohexyloxirane
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1,2,3,4,4a,5,6,7,8,8a-decahydronaphthalene;methylcyclohexane
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1-cyclodecyl-6-methylcycloundecane
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CID 58427678
cyclohexylcycloheptane
CID 524589
cyclononylcycloicosane
CID 123187062
5-methylbicyclo[11.3.0]hexadecane
CID 58552761
1-cyclodecyl-5-methylcyclodecane
CID 123747337
1,2,3,4,4a,5,6,7,8,8a-decahydronaphthalene;2,3,3a,4,5,6,7,7a-octahydro-1H-indene;1,2,3,3a,4,5,6,6a-octahydropentalene;cyclobutane;cycloheptane;cyclohexane;cyclooctane;cyclopentane;cyclopropane
CID 158726060
1,2,3,3a,4,5,6,7,8,9,10,10a-dodecahydrocyclopenta[9]annulene
CID 58552309

Frequently Asked Questions

What is the IUPAC name of 2-cyclohexyl-4,6-dimethyl-1,3,5-trioxane?
The IUPAC name of 2-cyclohexyl-4,6-dimethyl-1,3,5-trioxane (CID 85404965) is 2-cyclohexyl-4,6-dimethyl-1,3,5-trioxane.
What is the SMILES notation for 2-cyclohexyl-4,6-dimethyl-1,3,5-trioxane?
The canonical SMILES for 2-cyclohexyl-4,6-dimethyl-1,3,5-trioxane is CC1OC(C)OC(C2CCCCC2)O1.
What is the InChIKey of 2-cyclohexyl-4,6-dimethyl-1,3,5-trioxane?
The InChIKey is NMLLRTHNXDWTMB-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H20O3/c1-8-12-9(2)14-11(13-8)10-6-4-3-5-7-10/h8-11H,3-7H2,1-2H3.
What are the key properties of 2-cyclohexyl-4,6-dimethyl-1,3,5-trioxane?
2-cyclohexyl-4,6-dimethyl-1,3,5-trioxane has a molecular weight of 200.28 g/mol, XLogP of 2.65, 1 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-cyclohexyl-4,6-dimethyl-1,3,5-trioxane is sourced from PubChem (CID 85404965), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).