2,2,3,3,4-pentamethyl-4-[6-(2,3,3,4,4-pentamethyloxetan-2-yl)hexyl]oxetane

C22H42O2 — CID 59672090

IUPAC2,2,3,3,4-pentamethyl-4-[6-(2,3,3,4,4-pentamethyloxetan-2-yl)hexyl]oxetane
SMILESCC1(C)OC(C)(CCCCCCC2(C)OC(C)(C)C2(C)C)C1(C)C
InChIInChI=1S/C22H42O2/c1-17(2)19(5,6)23-21(17,9)15-13-11-12-14-16-22(10)18(3,4)20(7,8)24-22/h11-16H2,1-10H3
InChIKeyUHFOANDEJGUPKM-UHFFFAOYSA-N
MW338.58 g/mol
LogP6.51
Rot. Bonds7

About 2,2,3,3,4-pentamethyl-4-[6-(2,3,3,4,4-pentamethyloxetan-2-yl)hexyl]oxetane

2,2,3,3,4-pentamethyl-4-[6-(2,3,3,4,4-pentamethyloxetan-2-yl)hexyl]oxetane (PubChem CID 59672090) has the molecular formula C22H42O2 and a molecular weight of 338.58 g/mol. Its IUPAC name is 2,2,3,3,4-pentamethyl-4-[6-(2,3,3,4,4-pentamethyloxetan-2-yl)hexyl]oxetane.

Molecular Properties

Compound Name2,2,3,3,4-pentamethyl-4-[6-(2,3,3,4,4-pentamethyloxetan-2-yl)hexyl]oxetane
PubChem CID59672090
Molecular FormulaC22H42O2
Molecular Weight338.58 g/mol
Exact Mass338.32
IUPAC Name2,2,3,3,4-pentamethyl-4-[6-(2,3,3,4,4-pentamethyloxetan-2-yl)hexyl]oxetane
SMILESCC1(C)OC(C)(CCCCCCC2(C)OC(C)(C)C2(C)C)C1(C)C
InChIInChI=1S/C22H42O2/c1-17(2)19(5,6)23-21(17,9)15-13-11-12-14-16-22(10)18(3,4)20(7,8)24-22/h11-16H2,1-10H3
InChIKeyUHFOANDEJGUPKM-UHFFFAOYSA-N
XLogP6.51
TPSA18.46 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds7
Heavy Atoms24
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500338.58
LogP ≤ 56.51
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of 2,2,3,3,4-pentamethyl-4-[6-(2,3,3,4,4-pentamethyloxetan-2-yl)hexyl]oxetane?
The IUPAC name of 2,2,3,3,4-pentamethyl-4-[6-(2,3,3,4,4-pentamethyloxetan-2-yl)hexyl]oxetane (CID 59672090) is 2,2,3,3,4-pentamethyl-4-[6-(2,3,3,4,4-pentamethyloxetan-2-yl)hexyl]oxetane.
What is the SMILES notation for 2,2,3,3,4-pentamethyl-4-[6-(2,3,3,4,4-pentamethyloxetan-2-yl)hexyl]oxetane?
The canonical SMILES for 2,2,3,3,4-pentamethyl-4-[6-(2,3,3,4,4-pentamethyloxetan-2-yl)hexyl]oxetane is CC1(C)OC(C)(CCCCCCC2(C)OC(C)(C)C2(C)C)C1(C)C.
What is the InChIKey of 2,2,3,3,4-pentamethyl-4-[6-(2,3,3,4,4-pentamethyloxetan-2-yl)hexyl]oxetane?
The InChIKey is UHFOANDEJGUPKM-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H42O2/c1-17(2)19(5,6)23-21(17,9)15-13-11-12-14-16-22(10)18(3,4)20(7,8)24-22/h11-16H2,1-10H3.
What are the key properties of 2,2,3,3,4-pentamethyl-4-[6-(2,3,3,4,4-pentamethyloxetan-2-yl)hexyl]oxetane?
2,2,3,3,4-pentamethyl-4-[6-(2,3,3,4,4-pentamethyloxetan-2-yl)hexyl]oxetane has a molecular weight of 338.58 g/mol, XLogP of 6.51, 7 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2,2,3,3,4-pentamethyl-4-[6-(2,3,3,4,4-pentamethyloxetan-2-yl)hexyl]oxetane is sourced from PubChem (CID 59672090), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).