3-(1-methoxyethoxy)propylselanylcyclohexane

C12H24O2Se — CID 20729136

IUPAC3-(1-methoxyethoxy)propylselanylcyclohexane
SMILESCOC(C)OCCC[Se]C1CCCCC1
InChIInChI=1S/C12H24O2Se/c1-11(13-2)14-9-6-10-15-12-7-4-3-5-8-12/h11-12H,3-10H2,1-2H3
InChIKeyPCKJZKPNKCIATA-UHFFFAOYSA-N
MW279.28 g/mol
LogP3.26
Rot. Bonds7

About 3-(1-methoxyethoxy)propylselanylcyclohexane

3-(1-methoxyethoxy)propylselanylcyclohexane (PubChem CID 20729136) has the molecular formula C12H24O2Se and a molecular weight of 279.28 g/mol. Its IUPAC name is 3-(1-methoxyethoxy)propylselanylcyclohexane.

Molecular Properties

Compound Name3-(1-methoxyethoxy)propylselanylcyclohexane
PubChem CID20729136
Molecular FormulaC12H24O2Se
Molecular Weight279.28 g/mol
Exact Mass280.09
IUPAC Name3-(1-methoxyethoxy)propylselanylcyclohexane
SMILESCOC(C)OCCC[Se]C1CCCCC1
InChIInChI=1S/C12H24O2Se/c1-11(13-2)14-9-6-10-15-12-7-4-3-5-8-12/h11-12H,3-10H2,1-2H3
InChIKeyPCKJZKPNKCIATA-UHFFFAOYSA-N
XLogP3.26
TPSA18.46 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds7
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500279.28
LogP ≤ 53.26
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}, {'alert_name': 'heavy_metal', 'substructure': 'N/A'}, {'alert_name': 'het-C-het_not_in_ring', 'substructure': 'N/A'}

Analyze 3-(1-methoxyethoxy)propylselanylcyclohexane 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 3-(1-methoxyethoxy)propylselanylcyclohexane?
The IUPAC name of 3-(1-methoxyethoxy)propylselanylcyclohexane (CID 20729136) is 3-(1-methoxyethoxy)propylselanylcyclohexane.
What is the SMILES notation for 3-(1-methoxyethoxy)propylselanylcyclohexane?
The canonical SMILES for 3-(1-methoxyethoxy)propylselanylcyclohexane is COC(C)OCCC[Se]C1CCCCC1.
What is the InChIKey of 3-(1-methoxyethoxy)propylselanylcyclohexane?
The InChIKey is PCKJZKPNKCIATA-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H24O2Se/c1-11(13-2)14-9-6-10-15-12-7-4-3-5-8-12/h11-12H,3-10H2,1-2H3.
What are the key properties of 3-(1-methoxyethoxy)propylselanylcyclohexane?
3-(1-methoxyethoxy)propylselanylcyclohexane has a molecular weight of 279.28 g/mol, XLogP of 3.26, 7 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 3-(1-methoxyethoxy)propylselanylcyclohexane is sourced from PubChem (CID 20729136), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).