2-[2-[6-(2-methylbutan-2-yloxy)hexoxy]ethyl]oxetane

C16H32O3 — CID 144531318

IUPAC2-[2-[6-(2-methylbutan-2-yloxy)hexoxy]ethyl]oxetane
SMILESCCC(C)(C)OCCCCCCOCCC1CCO1
InChIInChI=1S/C16H32O3/c1-4-16(2,3)19-12-8-6-5-7-11-17-13-9-15-10-14-18-15/h15H,4-14H2,1-3H3
InChIKeyITTCKQMXIRSNDS-UHFFFAOYSA-N
MW272.43 g/mol
LogP3.95
Rot. Bonds12

About 2-[2-[6-(2-methylbutan-2-yloxy)hexoxy]ethyl]oxetane

2-[2-[6-(2-methylbutan-2-yloxy)hexoxy]ethyl]oxetane (PubChem CID 144531318) has the molecular formula C16H32O3 and a molecular weight of 272.43 g/mol. Its IUPAC name is 2-[2-[6-(2-methylbutan-2-yloxy)hexoxy]ethyl]oxetane.

Molecular Properties

Compound Name2-[2-[6-(2-methylbutan-2-yloxy)hexoxy]ethyl]oxetane
PubChem CID144531318
Molecular FormulaC16H32O3
Molecular Weight272.43 g/mol
Exact Mass272.24
IUPAC Name2-[2-[6-(2-methylbutan-2-yloxy)hexoxy]ethyl]oxetane
SMILESCCC(C)(C)OCCCCCCOCCC1CCO1
InChIInChI=1S/C16H32O3/c1-4-16(2,3)19-12-8-6-5-7-11-17-13-9-15-10-14-18-15/h15H,4-14H2,1-3H3
InChIKeyITTCKQMXIRSNDS-UHFFFAOYSA-N
XLogP3.95
TPSA27.69 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds12
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500272.43
LogP ≤ 53.95
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

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Related Compounds

2-[5-[5-(oxetan-2-yl)pentoxy]pentyl]oxetane
CID 68621187
1,10-bis(2-methylbutan-2-yloxy)decane
CID 171725385
1-(2-methylbutan-2-yloxy)tetradecane
CID 86191698
2-[2-(3-methylbutoxy)ethyl]oxetane
CID 150212884
2-[2-[4-[2-(oxiran-2-yl)ethoxy]butoxy]ethyl]oxirane
CID 177262160
N-methyl-2-[3-(2-methylbutan-2-yloxy)propoxy]ethanamine
CID 134441292
2-octadecyloxetane
CID 168986267
2-(4-dodecoxybutyl)oxirane
CID 22900888
2-methyl-2-(2-propoxyethoxy)butane
CID 174670155
2-[2-(2-methoxypropan-2-yloxy)ethyl]oxolane
CID 142450313
2-[2-[4-(1-cyclopropyl-2-methylbutan-2-yl)oxybutoxy]-2-methylbutyl]oxirane
CID 166899086
N-[2-(2-methylbutan-2-yloxy)ethyl]oxan-4-amine
CID 63098311

Frequently Asked Questions

What is the IUPAC name of 2-[2-[6-(2-methylbutan-2-yloxy)hexoxy]ethyl]oxetane?
The IUPAC name of 2-[2-[6-(2-methylbutan-2-yloxy)hexoxy]ethyl]oxetane (CID 144531318) is 2-[2-[6-(2-methylbutan-2-yloxy)hexoxy]ethyl]oxetane.
What is the SMILES notation for 2-[2-[6-(2-methylbutan-2-yloxy)hexoxy]ethyl]oxetane?
The canonical SMILES for 2-[2-[6-(2-methylbutan-2-yloxy)hexoxy]ethyl]oxetane is CCC(C)(C)OCCCCCCOCCC1CCO1.
What is the InChIKey of 2-[2-[6-(2-methylbutan-2-yloxy)hexoxy]ethyl]oxetane?
The InChIKey is ITTCKQMXIRSNDS-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H32O3/c1-4-16(2,3)19-12-8-6-5-7-11-17-13-9-15-10-14-18-15/h15H,4-14H2,1-3H3.
What are the key properties of 2-[2-[6-(2-methylbutan-2-yloxy)hexoxy]ethyl]oxetane?
2-[2-[6-(2-methylbutan-2-yloxy)hexoxy]ethyl]oxetane has a molecular weight of 272.43 g/mol, XLogP of 3.95, 12 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[2-[6-(2-methylbutan-2-yloxy)hexoxy]ethyl]oxetane is sourced from PubChem (CID 144531318), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).