5-methyl-2-(3,4,5-trimethylcyclohexyl)-1,3-dioxane

C14H26O2 — CID 59876818

IUPAC5-methyl-2-(3,4,5-trimethylcyclohexyl)-1,3-dioxane
SMILESCC1COC(C2CC(C)C(C)C(C)C2)OC1
InChIInChI=1S/C14H26O2/c1-9-7-15-14(16-8-9)13-5-10(2)12(4)11(3)6-13/h9-14H,5-8H2,1-4H3
InChIKeyUKQVWCVPVCPCGW-UHFFFAOYSA-N
MW226.36 g/mol
LogP3.31
Rot. Bonds1

About 5-methyl-2-(3,4,5-trimethylcyclohexyl)-1,3-dioxane

5-methyl-2-(3,4,5-trimethylcyclohexyl)-1,3-dioxane (PubChem CID 59876818) has the molecular formula C14H26O2 and a molecular weight of 226.36 g/mol. Its IUPAC name is 5-methyl-2-(3,4,5-trimethylcyclohexyl)-1,3-dioxane.

Molecular Properties

Compound Name5-methyl-2-(3,4,5-trimethylcyclohexyl)-1,3-dioxane
PubChem CID59876818
Molecular FormulaC14H26O2
Molecular Weight226.36 g/mol
Exact Mass226.19
IUPAC Name5-methyl-2-(3,4,5-trimethylcyclohexyl)-1,3-dioxane
SMILESCC1COC(C2CC(C)C(C)C(C)C2)OC1
InChIInChI=1S/C14H26O2/c1-9-7-15-14(16-8-9)13-5-10(2)12(4)11(3)6-13/h9-14H,5-8H2,1-4H3
InChIKeyUKQVWCVPVCPCGW-UHFFFAOYSA-N
XLogP3.31
TPSA18.46 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds1
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500226.36
LogP ≤ 53.31
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of 5-methyl-2-(3,4,5-trimethylcyclohexyl)-1,3-dioxane?
The IUPAC name of 5-methyl-2-(3,4,5-trimethylcyclohexyl)-1,3-dioxane (CID 59876818) is 5-methyl-2-(3,4,5-trimethylcyclohexyl)-1,3-dioxane.
What is the SMILES notation for 5-methyl-2-(3,4,5-trimethylcyclohexyl)-1,3-dioxane?
The canonical SMILES for 5-methyl-2-(3,4,5-trimethylcyclohexyl)-1,3-dioxane is CC1COC(C2CC(C)C(C)C(C)C2)OC1.
What is the InChIKey of 5-methyl-2-(3,4,5-trimethylcyclohexyl)-1,3-dioxane?
The InChIKey is UKQVWCVPVCPCGW-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H26O2/c1-9-7-15-14(16-8-9)13-5-10(2)12(4)11(3)6-13/h9-14H,5-8H2,1-4H3.
What are the key properties of 5-methyl-2-(3,4,5-trimethylcyclohexyl)-1,3-dioxane?
5-methyl-2-(3,4,5-trimethylcyclohexyl)-1,3-dioxane has a molecular weight of 226.36 g/mol, XLogP of 3.31, 1 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 5-methyl-2-(3,4,5-trimethylcyclohexyl)-1,3-dioxane is sourced from PubChem (CID 59876818), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).