1-(2-ethoxyethyl)-1-[1-(2-ethoxyethyl)cyclododecyl]oxycyclododecane

C32H62O3 — CID 70544538

IUPAC1-(2-ethoxyethyl)-1-[1-(2-ethoxyethyl)cyclododecyl]oxycyclododecane
SMILESCCOCCC1(OC2(CCOCC)CCCCCCCCCCC2)CCCCCCCCCCC1
InChIInChI=1S/C32H62O3/c1-3-33-29-27-31(23-19-15-11-7-5-8-12-16-20-24-31)35-32(28-30-34-4-2)25-21-17-13-9-6-10-14-18-22-26-32/h3-30H2,1-2H3
InChIKeyPFWISTCLQKQQOB-UHFFFAOYSA-N
MW494.85 g/mol
LogP9.94
Rot. Bonds10

About 1-(2-ethoxyethyl)-1-[1-(2-ethoxyethyl)cyclododecyl]oxycyclododecane

1-(2-ethoxyethyl)-1-[1-(2-ethoxyethyl)cyclododecyl]oxycyclododecane (PubChem CID 70544538) has the molecular formula C32H62O3 and a molecular weight of 494.85 g/mol. Its IUPAC name is 1-(2-ethoxyethyl)-1-[1-(2-ethoxyethyl)cyclododecyl]oxycyclododecane.

Molecular Properties

Compound Name1-(2-ethoxyethyl)-1-[1-(2-ethoxyethyl)cyclododecyl]oxycyclododecane
PubChem CID70544538
Molecular FormulaC32H62O3
Molecular Weight494.85 g/mol
Exact Mass494.47
IUPAC Name1-(2-ethoxyethyl)-1-[1-(2-ethoxyethyl)cyclododecyl]oxycyclododecane
SMILESCCOCCC1(OC2(CCOCC)CCCCCCCCCCC2)CCCCCCCCCCC1
InChIInChI=1S/C32H62O3/c1-3-33-29-27-31(23-19-15-11-7-5-8-12-16-20-24-31)35-32(28-30-34-4-2)25-21-17-13-9-6-10-14-18-22-26-32/h3-30H2,1-2H3
InChIKeyPFWISTCLQKQQOB-UHFFFAOYSA-N
XLogP9.94
TPSA27.69 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds10
Heavy Atoms35
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500494.85
LogP ≤ 59.94
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}

Analyze 1-(2-ethoxyethyl)-1-[1-(2-ethoxyethyl)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

Related Compounds

1-(2-ethoxyethyl)cycloheptane-1-carbonitrile
CID 65390901
[1-(2-ethoxyethyl)cyclopentyl]methanol
CID 66023683
[1-(2-ethoxyethyl)cyclopentyl]methanamine
CID 62724287
[1-(3-ethoxypropoxy)cycloheptyl]methanamine
CID 65176333
N-[[1-(2-ethoxyethyl)cyclohexyl]methyl]propan-2-amine
CID 62723573
1-(bromomethyl)-1-(2-ethoxyethoxy)cyclopentane
CID 62112037
[1-(2-ethoxyethyl)cyclopropyl] prop-2-enoate
CID 57237184
1-(2-methoxyethoxymethyl)-1-[1-(2-methoxyethoxymethyl)cyclohexyl]oxycyclohexane
CID 22447736
1-ethoxy-1-propylcyclohexane
CID 154221474
N-[[1-(2-ethoxyethyl)cyclohexyl]methyl]-2-methoxyethanamine
CID 62723982
2-[1-(2-ethoxyethoxy)cyclobutyl]-N-ethylethanamine
CID 103273067
cyclobutane;ethoxyethane
CID 66599316

Frequently Asked Questions

What is the IUPAC name of 1-(2-ethoxyethyl)-1-[1-(2-ethoxyethyl)cyclododecyl]oxycyclododecane?
The IUPAC name of 1-(2-ethoxyethyl)-1-[1-(2-ethoxyethyl)cyclododecyl]oxycyclododecane (CID 70544538) is 1-(2-ethoxyethyl)-1-[1-(2-ethoxyethyl)cyclododecyl]oxycyclododecane.
What is the SMILES notation for 1-(2-ethoxyethyl)-1-[1-(2-ethoxyethyl)cyclododecyl]oxycyclododecane?
The canonical SMILES for 1-(2-ethoxyethyl)-1-[1-(2-ethoxyethyl)cyclododecyl]oxycyclododecane is CCOCCC1(OC2(CCOCC)CCCCCCCCCCC2)CCCCCCCCCCC1.
What is the InChIKey of 1-(2-ethoxyethyl)-1-[1-(2-ethoxyethyl)cyclododecyl]oxycyclododecane?
The InChIKey is PFWISTCLQKQQOB-UHFFFAOYSA-N. The full InChI is InChI=1S/C32H62O3/c1-3-33-29-27-31(23-19-15-11-7-5-8-12-16-20-24-31)35-32(28-30-34-4-2)25-21-17-13-9-6-10-14-18-22-26-32/h3-30H2,1-2H3.
What are the key properties of 1-(2-ethoxyethyl)-1-[1-(2-ethoxyethyl)cyclododecyl]oxycyclododecane?
1-(2-ethoxyethyl)-1-[1-(2-ethoxyethyl)cyclododecyl]oxycyclododecane has a molecular weight of 494.85 g/mol, XLogP of 9.94, 10 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(2-ethoxyethyl)-1-[1-(2-ethoxyethyl)cyclododecyl]oxycyclododecane is sourced from PubChem (CID 70544538), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).