2,6-dimethoxy-1-(methoxymethyl)-1-(2-methylpropyl)cyclohexane

C14H28O3 — CID 22020729

IUPAC2,6-dimethoxy-1-(methoxymethyl)-1-(2-methylpropyl)cyclohexane
SMILESCOCC1(CC(C)C)C(OC)CCCC1OC
InChIInChI=1S/C14H28O3/c1-11(2)9-14(10-15-3)12(16-4)7-6-8-13(14)17-5/h11-13H,6-10H2,1-5H3
InChIKeyMWEXJWARPGCXOK-UHFFFAOYSA-N
MW244.37 g/mol
LogP2.88
Rot. Bonds6

About 2,6-dimethoxy-1-(methoxymethyl)-1-(2-methylpropyl)cyclohexane

2,6-dimethoxy-1-(methoxymethyl)-1-(2-methylpropyl)cyclohexane (PubChem CID 22020729) has the molecular formula C14H28O3 and a molecular weight of 244.37 g/mol. Its IUPAC name is 2,6-dimethoxy-1-(methoxymethyl)-1-(2-methylpropyl)cyclohexane.

Molecular Properties

Compound Name2,6-dimethoxy-1-(methoxymethyl)-1-(2-methylpropyl)cyclohexane
PubChem CID22020729
Molecular FormulaC14H28O3
Molecular Weight244.37 g/mol
Exact Mass244.20
IUPAC Name2,6-dimethoxy-1-(methoxymethyl)-1-(2-methylpropyl)cyclohexane
SMILESCOCC1(CC(C)C)C(OC)CCCC1OC
InChIInChI=1S/C14H28O3/c1-11(2)9-14(10-15-3)12(16-4)7-6-8-13(14)17-5/h11-13H,6-10H2,1-5H3
InChIKeyMWEXJWARPGCXOK-UHFFFAOYSA-N
XLogP2.88
TPSA27.69 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500244.37
LogP ≤ 52.88
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 2,6-dimethoxy-1-(methoxymethyl)-1-(2-methylpropyl)cyclohexane?
The IUPAC name of 2,6-dimethoxy-1-(methoxymethyl)-1-(2-methylpropyl)cyclohexane (CID 22020729) is 2,6-dimethoxy-1-(methoxymethyl)-1-(2-methylpropyl)cyclohexane.
What is the SMILES notation for 2,6-dimethoxy-1-(methoxymethyl)-1-(2-methylpropyl)cyclohexane?
The canonical SMILES for 2,6-dimethoxy-1-(methoxymethyl)-1-(2-methylpropyl)cyclohexane is COCC1(CC(C)C)C(OC)CCCC1OC.
What is the InChIKey of 2,6-dimethoxy-1-(methoxymethyl)-1-(2-methylpropyl)cyclohexane?
The InChIKey is MWEXJWARPGCXOK-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H28O3/c1-11(2)9-14(10-15-3)12(16-4)7-6-8-13(14)17-5/h11-13H,6-10H2,1-5H3.
What are the key properties of 2,6-dimethoxy-1-(methoxymethyl)-1-(2-methylpropyl)cyclohexane?
2,6-dimethoxy-1-(methoxymethyl)-1-(2-methylpropyl)cyclohexane has a molecular weight of 244.37 g/mol, XLogP of 2.88, 6 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2,6-dimethoxy-1-(methoxymethyl)-1-(2-methylpropyl)cyclohexane is sourced from PubChem (CID 22020729), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).