2-[11-[12-(oxetan-2-yl)dodecan-2-yloxy]dodecyl]oxetane

C30H58O3 — CID 66633104

IUPAC2-[11-[12-(oxetan-2-yl)dodecan-2-yloxy]dodecyl]oxetane
SMILESCC(CCCCCCCCCCC1CCO1)OC(C)CCCCCCCCCCC1CCO1
InChIInChI=1S/C30H58O3/c1-27(19-15-11-7-3-5-9-13-17-21-29-23-25-31-29)33-28(2)20-16-12-8-4-6-10-14-18-22-30-24-26-32-30/h27-30H,3-26H2,1-2H3
InChIKeyXAARUKXXZACCPH-UHFFFAOYSA-N
MW466.79 g/mol
LogP9.16
Rot. Bonds24

About 2-[11-[12-(oxetan-2-yl)dodecan-2-yloxy]dodecyl]oxetane

2-[11-[12-(oxetan-2-yl)dodecan-2-yloxy]dodecyl]oxetane (PubChem CID 66633104) has the molecular formula C30H58O3 and a molecular weight of 466.79 g/mol. Its IUPAC name is 2-[11-[12-(oxetan-2-yl)dodecan-2-yloxy]dodecyl]oxetane.

Molecular Properties

Compound Name2-[11-[12-(oxetan-2-yl)dodecan-2-yloxy]dodecyl]oxetane
PubChem CID66633104
Molecular FormulaC30H58O3
Molecular Weight466.79 g/mol
Exact Mass466.44
IUPAC Name2-[11-[12-(oxetan-2-yl)dodecan-2-yloxy]dodecyl]oxetane
SMILESCC(CCCCCCCCCCC1CCO1)OC(C)CCCCCCCCCCC1CCO1
InChIInChI=1S/C30H58O3/c1-27(19-15-11-7-3-5-9-13-17-21-29-23-25-31-29)33-28(2)20-16-12-8-4-6-10-14-18-22-30-24-26-32-30/h27-30H,3-26H2,1-2H3
InChIKeyXAARUKXXZACCPH-UHFFFAOYSA-N
XLogP9.16
TPSA27.69 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds24
Heavy Atoms33
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500466.79
LogP ≤ 59.16
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-methylhexyl)oxetane
CID 173452744
2-[9-[11-(oxetan-2-yl)undecan-3-yloxy]undecyl]oxetane
CID 66589278
2-[7-[11-(oxetan-2-yl)undecan-5-yloxy]undecyl]oxetane
CID 66633515
2-(9-ethylpentadecyl)oxetane
CID 173032138
2-[4-[1-(oxetan-2-yl)nonan-4-yloxy]nonyl]oxetane
CID 66633096
2-octadecyloxetane
CID 168986267
2-[5-[5-(oxetan-2-yl)pentoxy]pentyl]oxetane
CID 68621187
2-(7-phenyloctyl)oxetane
CID 173415617
2-(6-bromo-7-methyloctyl)oxolane
CID 65165254
1-(oxetan-2-yl)heptadecan-4-amine
CID 67766424
2-[7-methyl-6-[3-methyl-9-(oxan-2-yl)nonan-4-yl]sulfanylnonyl]oxane
CID 54258088
ethanol;2-pentadecyloxetane
CID 68938646

Frequently Asked Questions

What is the IUPAC name of 2-[11-[12-(oxetan-2-yl)dodecan-2-yloxy]dodecyl]oxetane?
The IUPAC name of 2-[11-[12-(oxetan-2-yl)dodecan-2-yloxy]dodecyl]oxetane (CID 66633104) is 2-[11-[12-(oxetan-2-yl)dodecan-2-yloxy]dodecyl]oxetane.
What is the SMILES notation for 2-[11-[12-(oxetan-2-yl)dodecan-2-yloxy]dodecyl]oxetane?
The canonical SMILES for 2-[11-[12-(oxetan-2-yl)dodecan-2-yloxy]dodecyl]oxetane is CC(CCCCCCCCCCC1CCO1)OC(C)CCCCCCCCCCC1CCO1.
What is the InChIKey of 2-[11-[12-(oxetan-2-yl)dodecan-2-yloxy]dodecyl]oxetane?
The InChIKey is XAARUKXXZACCPH-UHFFFAOYSA-N. The full InChI is InChI=1S/C30H58O3/c1-27(19-15-11-7-3-5-9-13-17-21-29-23-25-31-29)33-28(2)20-16-12-8-4-6-10-14-18-22-30-24-26-32-30/h27-30H,3-26H2,1-2H3.
What are the key properties of 2-[11-[12-(oxetan-2-yl)dodecan-2-yloxy]dodecyl]oxetane?
2-[11-[12-(oxetan-2-yl)dodecan-2-yloxy]dodecyl]oxetane has a molecular weight of 466.79 g/mol, XLogP of 9.16, 24 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[11-[12-(oxetan-2-yl)dodecan-2-yloxy]dodecyl]oxetane is sourced from PubChem (CID 66633104), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).