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

C16H30O3 — CID 22020746

IUPAC1-cyclohexyl-2,6-dimethoxy-1-(methoxymethyl)cyclohexane
SMILESCOCC1(C2CCCCC2)C(OC)CCCC1OC
InChIInChI=1S/C16H30O3/c1-17-12-16(13-8-5-4-6-9-13)14(18-2)10-7-11-15(16)19-3/h13-15H,4-12H2,1-3H3
InChIKeyUKEMZRLXYBOLMH-UHFFFAOYSA-N
MW270.41 g/mol
LogP3.41
Rot. Bonds5

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

1-cyclohexyl-2,6-dimethoxy-1-(methoxymethyl)cyclohexane (PubChem CID 22020746) has the molecular formula C16H30O3 and a molecular weight of 270.41 g/mol. Its IUPAC name is 1-cyclohexyl-2,6-dimethoxy-1-(methoxymethyl)cyclohexane.

Molecular Properties

Compound Name1-cyclohexyl-2,6-dimethoxy-1-(methoxymethyl)cyclohexane
PubChem CID22020746
Molecular FormulaC16H30O3
Molecular Weight270.41 g/mol
Exact Mass270.22
IUPAC Name1-cyclohexyl-2,6-dimethoxy-1-(methoxymethyl)cyclohexane
SMILESCOCC1(C2CCCCC2)C(OC)CCCC1OC
InChIInChI=1S/C16H30O3/c1-17-12-16(13-8-5-4-6-9-13)14(18-2)10-7-11-15(16)19-3/h13-15H,4-12H2,1-3H3
InChIKeyUKEMZRLXYBOLMH-UHFFFAOYSA-N
XLogP3.41
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 ≤ 53.41
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 1-cyclohexyl-2,6-dimethoxy-1-(methoxymethyl)cyclohexane?
The IUPAC name of 1-cyclohexyl-2,6-dimethoxy-1-(methoxymethyl)cyclohexane (CID 22020746) is 1-cyclohexyl-2,6-dimethoxy-1-(methoxymethyl)cyclohexane.
What is the SMILES notation for 1-cyclohexyl-2,6-dimethoxy-1-(methoxymethyl)cyclohexane?
The canonical SMILES for 1-cyclohexyl-2,6-dimethoxy-1-(methoxymethyl)cyclohexane is COCC1(C2CCCCC2)C(OC)CCCC1OC.
What is the InChIKey of 1-cyclohexyl-2,6-dimethoxy-1-(methoxymethyl)cyclohexane?
The InChIKey is UKEMZRLXYBOLMH-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H30O3/c1-17-12-16(13-8-5-4-6-9-13)14(18-2)10-7-11-15(16)19-3/h13-15H,4-12H2,1-3H3.
What are the key properties of 1-cyclohexyl-2,6-dimethoxy-1-(methoxymethyl)cyclohexane?
1-cyclohexyl-2,6-dimethoxy-1-(methoxymethyl)cyclohexane has a molecular weight of 270.41 g/mol, XLogP of 3.41, 5 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-cyclohexyl-2,6-dimethoxy-1-(methoxymethyl)cyclohexane is sourced from PubChem (CID 22020746), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).