2-(4-methylcyclohexyl)-5-[(E)-2-(4-methylcyclohexyl)ethenyl]-1,3-dioxane

C20H34O2 — CID 54078523

IUPAC2-(4-methylcyclohexyl)-5-[(E)-2-(4-methylcyclohexyl)ethenyl]-1,3-dioxane
SMILESCC1CCC(/C=C/C2COC(C3CCC(C)CC3)OC2)CC1
InChIInChI=1S/C20H34O2/c1-15-3-7-17(8-4-15)9-10-18-13-21-20(22-14-18)19-11-5-16(2)6-12-19/h9-10,15-20H,3-8,11-14H2,1-2H3/b10-9+
InChIKeyNLRHBOWBZSNISH-MDZDMXLPSA-N
MW306.49 g/mol
LogP5.18
Rot. Bonds3

About 2-(4-methylcyclohexyl)-5-[(E)-2-(4-methylcyclohexyl)ethenyl]-1,3-dioxane

2-(4-methylcyclohexyl)-5-[(E)-2-(4-methylcyclohexyl)ethenyl]-1,3-dioxane (PubChem CID 54078523) has the molecular formula C20H34O2 and a molecular weight of 306.49 g/mol. Its IUPAC name is 2-(4-methylcyclohexyl)-5-[(E)-2-(4-methylcyclohexyl)ethenyl]-1,3-dioxane.

Molecular Properties

Compound Name2-(4-methylcyclohexyl)-5-[(E)-2-(4-methylcyclohexyl)ethenyl]-1,3-dioxane
PubChem CID54078523
Molecular FormulaC20H34O2
Molecular Weight306.49 g/mol
Exact Mass306.26
IUPAC Name2-(4-methylcyclohexyl)-5-[(E)-2-(4-methylcyclohexyl)ethenyl]-1,3-dioxane
SMILESCC1CCC(/C=C/C2COC(C3CCC(C)CC3)OC2)CC1
InChIInChI=1S/C20H34O2/c1-15-3-7-17(8-4-15)9-10-18-13-21-20(22-14-18)19-11-5-16(2)6-12-19/h9-10,15-20H,3-8,11-14H2,1-2H3/b10-9+
InChIKeyNLRHBOWBZSNISH-MDZDMXLPSA-N
XLogP5.18
TPSA18.46 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms22
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500306.49
LogP ≤ 55.18
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

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Related Compounds

5-[(E)-2-[4-(2,2-difluoroethenyl)cyclohexyl]ethenyl]-2-(4-methylcyclohexyl)-1,3-dioxane
CID 162548124
2-(4-methylcyclohexyl)-5-[4-(4-methylcyclohexyl)cyclohexyl]-1,3-dioxane
CID 21359943
1-methyl-4-[(E)-2-(4-methylcyclohexyl)ethenyl]cyclohexane;molecular hydrogen
CID 158561859
methane;1-methyl-4-[4-[(E)-prop-1-enyl]cyclohexyl]cyclohexane
CID 159017755
5-butyl-2-[4-[4-(2-chloroethenyl)cyclohexyl]cyclohexyl]-1,3-dioxane
CID 54530711
N-[4-[(E)-2-[4-(4-methylcyclohexyl)cyclohexyl]ethenyl]cyclohexyl]methanimine
CID 59916878
1-methyl-4-(4-methylcyclohexyl)cyclohexane;1-methyl-4-[2-(4-methylcyclohexyl)ethenyl]cyclohexane;bis(2-methyl-5-[2-(4-methylcyclohexyl)ethenyl]oxane);bis(5-methyl-2-[2-(4-methylcyclohexyl)ethenyl]oxane);bis(2-methyl-5-(4-methylcyclohexyl)oxane);bis(5-methyl-2-(4-methylcyclohexyl)oxane)
CID 162191451
(2S)-2-(4-methylcyclohexyl)oxirane
CID 146186873
1-[(E)-3,3-dimethylbut-1-enyl]-4-methylcyclohexane
CID 158566713
(E)-3-(4-methylcyclohexyl)prop-2-enal
CID 79331612
1-methyl-4-[4-(2-methylsulfanylethenyl)cyclohexyl]cyclohexane
CID 134454006
2-[4-[4-[(E)-2-[4-[difluoro(trifluoromethoxy)methyl]cyclohexyl]ethenyl]cyclohexyl]cyclohexyl]-5-propyl-1,3-dioxane
CID 90180120

Frequently Asked Questions

What is the IUPAC name of 2-(4-methylcyclohexyl)-5-[(E)-2-(4-methylcyclohexyl)ethenyl]-1,3-dioxane?
The IUPAC name of 2-(4-methylcyclohexyl)-5-[(E)-2-(4-methylcyclohexyl)ethenyl]-1,3-dioxane (CID 54078523) is 2-(4-methylcyclohexyl)-5-[(E)-2-(4-methylcyclohexyl)ethenyl]-1,3-dioxane.
What is the SMILES notation for 2-(4-methylcyclohexyl)-5-[(E)-2-(4-methylcyclohexyl)ethenyl]-1,3-dioxane?
The canonical SMILES for 2-(4-methylcyclohexyl)-5-[(E)-2-(4-methylcyclohexyl)ethenyl]-1,3-dioxane is CC1CCC(/C=C/C2COC(C3CCC(C)CC3)OC2)CC1.
What is the InChIKey of 2-(4-methylcyclohexyl)-5-[(E)-2-(4-methylcyclohexyl)ethenyl]-1,3-dioxane?
The InChIKey is NLRHBOWBZSNISH-MDZDMXLPSA-N. The full InChI is InChI=1S/C20H34O2/c1-15-3-7-17(8-4-15)9-10-18-13-21-20(22-14-18)19-11-5-16(2)6-12-19/h9-10,15-20H,3-8,11-14H2,1-2H3/b10-9+.
What are the key properties of 2-(4-methylcyclohexyl)-5-[(E)-2-(4-methylcyclohexyl)ethenyl]-1,3-dioxane?
2-(4-methylcyclohexyl)-5-[(E)-2-(4-methylcyclohexyl)ethenyl]-1,3-dioxane has a molecular weight of 306.49 g/mol, XLogP of 5.18, 3 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(4-methylcyclohexyl)-5-[(E)-2-(4-methylcyclohexyl)ethenyl]-1,3-dioxane is sourced from PubChem (CID 54078523), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).