2-(2,3,3,4,4,5-hexamethylhexan-2-yl)-2-[2-(2,3,3,4,4,5-hexamethylhexan-2-yl)oxetan-2-yl]oxyoxetane

C30H58O3 — CID 67548515

IUPAC2-(2,3,3,4,4,5-hexamethylhexan-2-yl)-2-[2-(2,3,3,4,4,5-hexamethylhexan-2-yl)oxetan-2-yl]oxyoxetane
SMILESCC(C)C(C)(C)C(C)(C)C(C)(C)C1(OC2(C(C)(C)C(C)(C)C(C)(C)C(C)C)CCO2)CCO1
InChIInChI=1S/C30H58O3/c1-21(2)23(5,6)25(9,10)27(13,14)29(17-19-31-29)33-30(18-20-32-30)28(15,16)26(11,12)24(7,8)22(3)4/h21-22H,17-20H2,1-16H3
InChIKeyFTPQDRUBNXNQAO-UHFFFAOYSA-N
MW466.79 g/mol
LogP8.71
Rot. Bonds10

About 2-(2,3,3,4,4,5-hexamethylhexan-2-yl)-2-[2-(2,3,3,4,4,5-hexamethylhexan-2-yl)oxetan-2-yl]oxyoxetane

2-(2,3,3,4,4,5-hexamethylhexan-2-yl)-2-[2-(2,3,3,4,4,5-hexamethylhexan-2-yl)oxetan-2-yl]oxyoxetane (PubChem CID 67548515) has the molecular formula C30H58O3 and a molecular weight of 466.79 g/mol. Its IUPAC name is 2-(2,3,3,4,4,5-hexamethylhexan-2-yl)-2-[2-(2,3,3,4,4,5-hexamethylhexan-2-yl)oxetan-2-yl]oxyoxetane.

Molecular Properties

Compound Name2-(2,3,3,4,4,5-hexamethylhexan-2-yl)-2-[2-(2,3,3,4,4,5-hexamethylhexan-2-yl)oxetan-2-yl]oxyoxetane
PubChem CID67548515
Molecular FormulaC30H58O3
Molecular Weight466.79 g/mol
Exact Mass466.44
IUPAC Name2-(2,3,3,4,4,5-hexamethylhexan-2-yl)-2-[2-(2,3,3,4,4,5-hexamethylhexan-2-yl)oxetan-2-yl]oxyoxetane
SMILESCC(C)C(C)(C)C(C)(C)C(C)(C)C1(OC2(C(C)(C)C(C)(C)C(C)(C)C(C)C)CCO2)CCO1
InChIInChI=1S/C30H58O3/c1-21(2)23(5,6)25(9,10)27(13,14)29(17-19-31-29)33-30(18-20-32-30)28(15,16)26(11,12)24(7,8)22(3)4/h21-22H,17-20H2,1-16H3
InChIKeyFTPQDRUBNXNQAO-UHFFFAOYSA-N
XLogP8.71
TPSA27.69 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds10
Heavy Atoms33
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500466.79
LogP ≤ 58.71
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

Analyze 2-(2,3,3,4,4,5-hexamethylhexan-2-yl)-2-[2-(2,3,3,4,4,5-hexamethylhexan-2-yl)oxetan-2-yl]oxyoxetane with MolForge

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Frequently Asked Questions

What is the IUPAC name of 2-(2,3,3,4,4,5-hexamethylhexan-2-yl)-2-[2-(2,3,3,4,4,5-hexamethylhexan-2-yl)oxetan-2-yl]oxyoxetane?
The IUPAC name of 2-(2,3,3,4,4,5-hexamethylhexan-2-yl)-2-[2-(2,3,3,4,4,5-hexamethylhexan-2-yl)oxetan-2-yl]oxyoxetane (CID 67548515) is 2-(2,3,3,4,4,5-hexamethylhexan-2-yl)-2-[2-(2,3,3,4,4,5-hexamethylhexan-2-yl)oxetan-2-yl]oxyoxetane.
What is the SMILES notation for 2-(2,3,3,4,4,5-hexamethylhexan-2-yl)-2-[2-(2,3,3,4,4,5-hexamethylhexan-2-yl)oxetan-2-yl]oxyoxetane?
The canonical SMILES for 2-(2,3,3,4,4,5-hexamethylhexan-2-yl)-2-[2-(2,3,3,4,4,5-hexamethylhexan-2-yl)oxetan-2-yl]oxyoxetane is CC(C)C(C)(C)C(C)(C)C(C)(C)C1(OC2(C(C)(C)C(C)(C)C(C)(C)C(C)C)CCO2)CCO1.
What is the InChIKey of 2-(2,3,3,4,4,5-hexamethylhexan-2-yl)-2-[2-(2,3,3,4,4,5-hexamethylhexan-2-yl)oxetan-2-yl]oxyoxetane?
The InChIKey is FTPQDRUBNXNQAO-UHFFFAOYSA-N. The full InChI is InChI=1S/C30H58O3/c1-21(2)23(5,6)25(9,10)27(13,14)29(17-19-31-29)33-30(18-20-32-30)28(15,16)26(11,12)24(7,8)22(3)4/h21-22H,17-20H2,1-16H3.
What are the key properties of 2-(2,3,3,4,4,5-hexamethylhexan-2-yl)-2-[2-(2,3,3,4,4,5-hexamethylhexan-2-yl)oxetan-2-yl]oxyoxetane?
2-(2,3,3,4,4,5-hexamethylhexan-2-yl)-2-[2-(2,3,3,4,4,5-hexamethylhexan-2-yl)oxetan-2-yl]oxyoxetane has a molecular weight of 466.79 g/mol, XLogP of 8.71, 10 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(2,3,3,4,4,5-hexamethylhexan-2-yl)-2-[2-(2,3,3,4,4,5-hexamethylhexan-2-yl)oxetan-2-yl]oxyoxetane is sourced from PubChem (CID 67548515), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).