2-(4,4-dimethylpentoxy)oxane

C12H24O2 — CID 59628221

IUPAC2-(4,4-dimethylpentoxy)oxane
SMILESCC(C)(C)CCCOC1CCCCO1
InChIInChI=1S/C12H24O2/c1-12(2,3)8-6-10-14-11-7-4-5-9-13-11/h11H,4-10H2,1-3H3
InChIKeyAFRAISAUGKGMLV-UHFFFAOYSA-N
MW200.32 g/mol
LogP3.36
Rot. Bonds4

About 2-(4,4-dimethylpentoxy)oxane

2-(4,4-dimethylpentoxy)oxane (PubChem CID 59628221) has the molecular formula C12H24O2 and a molecular weight of 200.32 g/mol. Its IUPAC name is 2-(4,4-dimethylpentoxy)oxane.

Molecular Properties

Compound Name2-(4,4-dimethylpentoxy)oxane
PubChem CID59628221
Molecular FormulaC12H24O2
Molecular Weight200.32 g/mol
Exact Mass200.18
IUPAC Name2-(4,4-dimethylpentoxy)oxane
SMILESCC(C)(C)CCCOC1CCCCO1
InChIInChI=1S/C12H24O2/c1-12(2,3)8-6-10-14-11-7-4-5-9-13-11/h11H,4-10H2,1-3H3
InChIKeyAFRAISAUGKGMLV-UHFFFAOYSA-N
XLogP3.36
TPSA18.46 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500200.32
LogP ≤ 53.36
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

Analyze 2-(4,4-dimethylpentoxy)oxane 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

2-methyl-6-(oxan-2-yloxy)hexan-2-ol
CID 10727469
2-[5-[5-(oxan-2-yloxy)pentoxy]pentoxy]oxane
CID 155771365
2-methyl-2-[4-(oxan-2-yloxy)butyl]propane-1,3-diamine
CID 19088341
2-octacosoxyoxane
CID 11214102
2-[4-(1,3-dithian-2-yl)-4-methylpentoxy]oxane
CID 102312865
trimethyl-[4-(oxan-2-yloxy)butoxy]silane
CID 11218840
2-(12-bromododecoxy)oxane
CID 11078592
(2S)-2-(3-chloropropoxy)oxane
CID 36690971
18-(oxan-2-yloxy)octadecylphosphanium iodide
CID 157231904
trimethyl-[13-(oxan-2-yloxy)tridecyl]silane
CID 86200856
Methylbis{6-[(oxan-2-yl)oxy]hexyl}silane
CID 78062562
2-(6-methylheptoxy)oxane
CID 139685112

Frequently Asked Questions

What is the IUPAC name of 2-(4,4-dimethylpentoxy)oxane?
The IUPAC name of 2-(4,4-dimethylpentoxy)oxane (CID 59628221) is 2-(4,4-dimethylpentoxy)oxane.
What is the SMILES notation for 2-(4,4-dimethylpentoxy)oxane?
The canonical SMILES for 2-(4,4-dimethylpentoxy)oxane is CC(C)(C)CCCOC1CCCCO1.
What is the InChIKey of 2-(4,4-dimethylpentoxy)oxane?
The InChIKey is AFRAISAUGKGMLV-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H24O2/c1-12(2,3)8-6-10-14-11-7-4-5-9-13-11/h11H,4-10H2,1-3H3.
What are the key properties of 2-(4,4-dimethylpentoxy)oxane?
2-(4,4-dimethylpentoxy)oxane has a molecular weight of 200.32 g/mol, XLogP of 3.36, 4 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(4,4-dimethylpentoxy)oxane is sourced from PubChem (CID 59628221), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).