1-(ethoxymethyl)-2,6-dimethoxy-1-propan-2-ylcyclohexane

C14H28O3 — CID 22020697

IUPAC1-(ethoxymethyl)-2,6-dimethoxy-1-propan-2-ylcyclohexane
SMILESCCOCC1(C(C)C)C(OC)CCCC1OC
InChIInChI=1S/C14H28O3/c1-6-17-10-14(11(2)3)12(15-4)8-7-9-13(14)16-5/h11-13H,6-10H2,1-5H3
InChIKeyXZIYVZQUMNTUNC-UHFFFAOYSA-N
MW244.37 g/mol
LogP2.88
Rot. Bonds6

About 1-(ethoxymethyl)-2,6-dimethoxy-1-propan-2-ylcyclohexane

1-(ethoxymethyl)-2,6-dimethoxy-1-propan-2-ylcyclohexane (PubChem CID 22020697) has the molecular formula C14H28O3 and a molecular weight of 244.37 g/mol. Its IUPAC name is 1-(ethoxymethyl)-2,6-dimethoxy-1-propan-2-ylcyclohexane.

Molecular Properties

Compound Name1-(ethoxymethyl)-2,6-dimethoxy-1-propan-2-ylcyclohexane
PubChem CID22020697
Molecular FormulaC14H28O3
Molecular Weight244.37 g/mol
Exact Mass244.20
IUPAC Name1-(ethoxymethyl)-2,6-dimethoxy-1-propan-2-ylcyclohexane
SMILESCCOCC1(C(C)C)C(OC)CCCC1OC
InChIInChI=1S/C14H28O3/c1-6-17-10-14(11(2)3)12(15-4)8-7-9-13(14)16-5/h11-13H,6-10H2,1-5H3
InChIKeyXZIYVZQUMNTUNC-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 1-(ethoxymethyl)-2,6-dimethoxy-1-propan-2-ylcyclohexane?
The IUPAC name of 1-(ethoxymethyl)-2,6-dimethoxy-1-propan-2-ylcyclohexane (CID 22020697) is 1-(ethoxymethyl)-2,6-dimethoxy-1-propan-2-ylcyclohexane.
What is the SMILES notation for 1-(ethoxymethyl)-2,6-dimethoxy-1-propan-2-ylcyclohexane?
The canonical SMILES for 1-(ethoxymethyl)-2,6-dimethoxy-1-propan-2-ylcyclohexane is CCOCC1(C(C)C)C(OC)CCCC1OC.
What is the InChIKey of 1-(ethoxymethyl)-2,6-dimethoxy-1-propan-2-ylcyclohexane?
The InChIKey is XZIYVZQUMNTUNC-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H28O3/c1-6-17-10-14(11(2)3)12(15-4)8-7-9-13(14)16-5/h11-13H,6-10H2,1-5H3.
What are the key properties of 1-(ethoxymethyl)-2,6-dimethoxy-1-propan-2-ylcyclohexane?
1-(ethoxymethyl)-2,6-dimethoxy-1-propan-2-ylcyclohexane 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 1-(ethoxymethyl)-2,6-dimethoxy-1-propan-2-ylcyclohexane is sourced from PubChem (CID 22020697), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).