1-propan-2-yloxyethoxycycloundecane

C16H32O2 — CID 21496393

IUPAC1-propan-2-yloxyethoxycycloundecane
SMILESCC(C)OC(C)OC1CCCCCCCCCC1
InChIInChI=1S/C16H32O2/c1-14(2)17-15(3)18-16-12-10-8-6-4-5-7-9-11-13-16/h14-16H,4-13H2,1-3H3
InChIKeyRGLCMDLTZAEADI-UHFFFAOYSA-N
MW256.43 g/mol
LogP5.06
Rot. Bonds4

About 1-propan-2-yloxyethoxycycloundecane

1-propan-2-yloxyethoxycycloundecane (PubChem CID 21496393) has the molecular formula C16H32O2 and a molecular weight of 256.43 g/mol. Its IUPAC name is 1-propan-2-yloxyethoxycycloundecane.

Molecular Properties

Compound Name1-propan-2-yloxyethoxycycloundecane
PubChem CID21496393
Molecular FormulaC16H32O2
Molecular Weight256.43 g/mol
Exact Mass256.24
IUPAC Name1-propan-2-yloxyethoxycycloundecane
SMILESCC(C)OC(C)OC1CCCCCCCCCC1
InChIInChI=1S/C16H32O2/c1-14(2)17-15(3)18-16-12-10-8-6-4-5-7-9-11-13-16/h14-16H,4-13H2,1-3H3
InChIKeyRGLCMDLTZAEADI-UHFFFAOYSA-N
XLogP5.06
TPSA18.46 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms18
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500256.43
LogP ≤ 55.06
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

Analyze 1-propan-2-yloxyethoxycycloundecane 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

propan-2-yloxycycloundecane
CID 91254526
ethane;propan-2-yloxycyclobutane;propan-2-yloxycyclohexane;propan-2-yloxycyclopropane
CID 158392294
(1-cyclohexyloxy-2-methylpropoxy)cyclohexane
CID 20788615
cyclohexyloxy(1-methoxyethoxy)methanol
CID 155312162
1-cyclohexyloxyethyl acetate
CID 58944366
2-methylpropyl 2-[(1R)-1-cyclohexyloxyethoxy]propanoate
CID 91172344
1-cyclopentyloxyethyl acetate
CID 58944284
cyclohexane;2-propan-2-yloxypropane
CID 22558525
5-(1-cyclohexyloxyethoxy)bicyclo[2.2.1]hept-2-ene
CID 22991726
1-cyclopentyloxyethyl 2-methylprop-2-enoate
CID 68973043
1-(1-cyclohexyloxyethoxy)-4-[2-[4-(1-cyclohexyloxyethoxy)phenyl]propan-2-yl]benzene
CID 22726294
1-[(3Z)-hexa-1,3,5-trien-2-yl]oxyethoxycyclohexane
CID 154973670

Frequently Asked Questions

What is the IUPAC name of 1-propan-2-yloxyethoxycycloundecane?
The IUPAC name of 1-propan-2-yloxyethoxycycloundecane (CID 21496393) is 1-propan-2-yloxyethoxycycloundecane.
What is the SMILES notation for 1-propan-2-yloxyethoxycycloundecane?
The canonical SMILES for 1-propan-2-yloxyethoxycycloundecane is CC(C)OC(C)OC1CCCCCCCCCC1.
What is the InChIKey of 1-propan-2-yloxyethoxycycloundecane?
The InChIKey is RGLCMDLTZAEADI-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H32O2/c1-14(2)17-15(3)18-16-12-10-8-6-4-5-7-9-11-13-16/h14-16H,4-13H2,1-3H3.
What are the key properties of 1-propan-2-yloxyethoxycycloundecane?
1-propan-2-yloxyethoxycycloundecane has a molecular weight of 256.43 g/mol, XLogP of 5.06, 4 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1-propan-2-yloxyethoxycycloundecane is sourced from PubChem (CID 21496393), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).