1-(ethoxymethyl)-1-[1-(ethoxymethyl)cyclododecyl]oxycyclododecane

C30H58O3 — CID 54266554

IUPAC1-(ethoxymethyl)-1-[1-(ethoxymethyl)cyclododecyl]oxycyclododecane
SMILESCCOCC1(OC2(COCC)CCCCCCCCCCC2)CCCCCCCCCCC1
InChIInChI=1S/C30H58O3/c1-3-31-27-29(23-19-15-11-7-5-8-12-16-20-24-29)33-30(28-32-4-2)25-21-17-13-9-6-10-14-18-22-26-30/h3-28H2,1-2H3
InChIKeyRHDQKLOQBOQJPW-UHFFFAOYSA-N
MW466.79 g/mol
LogP9.16
Rot. Bonds8

About 1-(ethoxymethyl)-1-[1-(ethoxymethyl)cyclododecyl]oxycyclododecane

1-(ethoxymethyl)-1-[1-(ethoxymethyl)cyclododecyl]oxycyclododecane (PubChem CID 54266554) has the molecular formula C30H58O3 and a molecular weight of 466.79 g/mol. Its IUPAC name is 1-(ethoxymethyl)-1-[1-(ethoxymethyl)cyclododecyl]oxycyclododecane.

Molecular Properties

Compound Name1-(ethoxymethyl)-1-[1-(ethoxymethyl)cyclododecyl]oxycyclododecane
PubChem CID54266554
Molecular FormulaC30H58O3
Molecular Weight466.79 g/mol
Exact Mass466.44
IUPAC Name1-(ethoxymethyl)-1-[1-(ethoxymethyl)cyclododecyl]oxycyclododecane
SMILESCCOCC1(OC2(COCC)CCCCCCCCCCC2)CCCCCCCCCCC1
InChIInChI=1S/C30H58O3/c1-3-31-27-29(23-19-15-11-7-5-8-12-16-20-24-29)33-30(28-32-4-2)25-21-17-13-9-6-10-14-18-22-26-30/h3-28H2,1-2H3
InChIKeyRHDQKLOQBOQJPW-UHFFFAOYSA-N
XLogP9.16
TPSA27.69 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds8
Heavy Atoms33
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500466.79
LogP ≤ 59.16
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

Analyze 1-(ethoxymethyl)-1-[1-(ethoxymethyl)cyclododecyl]oxycyclododecane with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Frequently Asked Questions

What is the IUPAC name of 1-(ethoxymethyl)-1-[1-(ethoxymethyl)cyclododecyl]oxycyclododecane?
The IUPAC name of 1-(ethoxymethyl)-1-[1-(ethoxymethyl)cyclododecyl]oxycyclododecane (CID 54266554) is 1-(ethoxymethyl)-1-[1-(ethoxymethyl)cyclododecyl]oxycyclododecane.
What is the SMILES notation for 1-(ethoxymethyl)-1-[1-(ethoxymethyl)cyclododecyl]oxycyclododecane?
The canonical SMILES for 1-(ethoxymethyl)-1-[1-(ethoxymethyl)cyclododecyl]oxycyclododecane is CCOCC1(OC2(COCC)CCCCCCCCCCC2)CCCCCCCCCCC1.
What is the InChIKey of 1-(ethoxymethyl)-1-[1-(ethoxymethyl)cyclododecyl]oxycyclododecane?
The InChIKey is RHDQKLOQBOQJPW-UHFFFAOYSA-N. The full InChI is InChI=1S/C30H58O3/c1-3-31-27-29(23-19-15-11-7-5-8-12-16-20-24-29)33-30(28-32-4-2)25-21-17-13-9-6-10-14-18-22-26-30/h3-28H2,1-2H3.
What are the key properties of 1-(ethoxymethyl)-1-[1-(ethoxymethyl)cyclododecyl]oxycyclododecane?
1-(ethoxymethyl)-1-[1-(ethoxymethyl)cyclododecyl]oxycyclododecane has a molecular weight of 466.79 g/mol, XLogP of 9.16, 8 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(ethoxymethyl)-1-[1-(ethoxymethyl)cyclododecyl]oxycyclododecane is sourced from PubChem (CID 54266554), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).