2-[4-[1-(oxetan-2-yl)nonan-4-yloxy]nonyl]oxetane

C24H46O3 — CID 66633096

IUPAC2-[4-[1-(oxetan-2-yl)nonan-4-yloxy]nonyl]oxetane
SMILESCCCCCC(CCCC1CCO1)OC(CCCCC)CCCC1CCO1
InChIInChI=1S/C24H46O3/c1-3-5-7-11-23(15-9-13-21-17-19-25-21)27-24(12-8-6-4-2)16-10-14-22-18-20-26-22/h21-24H,3-20H2,1-2H3
InChIKeyRRBZSAGXPZQBOZ-UHFFFAOYSA-N
MW382.63 g/mol
LogP6.82
Rot. Bonds18

About 2-[4-[1-(oxetan-2-yl)nonan-4-yloxy]nonyl]oxetane

2-[4-[1-(oxetan-2-yl)nonan-4-yloxy]nonyl]oxetane (PubChem CID 66633096) has the molecular formula C24H46O3 and a molecular weight of 382.63 g/mol. Its IUPAC name is 2-[4-[1-(oxetan-2-yl)nonan-4-yloxy]nonyl]oxetane.

Molecular Properties

Compound Name2-[4-[1-(oxetan-2-yl)nonan-4-yloxy]nonyl]oxetane
PubChem CID66633096
Molecular FormulaC24H46O3
Molecular Weight382.63 g/mol
Exact Mass382.34
IUPAC Name2-[4-[1-(oxetan-2-yl)nonan-4-yloxy]nonyl]oxetane
SMILESCCCCCC(CCCC1CCO1)OC(CCCCC)CCCC1CCO1
InChIInChI=1S/C24H46O3/c1-3-5-7-11-23(15-9-13-21-17-19-25-21)27-24(12-8-6-4-2)16-10-14-22-18-20-26-22/h21-24H,3-20H2,1-2H3
InChIKeyRRBZSAGXPZQBOZ-UHFFFAOYSA-N
XLogP6.82
TPSA27.69 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds18
Heavy Atoms27
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500382.63
LogP ≤ 56.82
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-[7-[11-(oxetan-2-yl)undecan-5-yloxy]undecyl]oxetane
CID 66633515
2-[9-[11-(oxetan-2-yl)undecan-3-yloxy]undecyl]oxetane
CID 66589278
trisodium;2-[3-[1-(oxetan-2-yl)undecan-3-yloxy]undecyl]oxetane;phosphate
CID 69493227
2-[3-[1-(oxetan-2-yl)undecan-3-yloxy]undecyl]oxetane;sulfuric acid
CID 66820864
1-(oxetan-2-yl)heptadecan-4-amine
CID 67766424
2-octadecyloxetane
CID 168986267
2-(9-ethylpentadecyl)oxetane
CID 173032138
6-tricosan-6-yloxytricosane
CID 57279617
16-tetratriacontan-16-yloxytetratriacontane
CID 91150918
ethanol;2-pentadecyloxetane
CID 68938646
2-[11-[12-(oxetan-2-yl)dodecan-2-yloxy]dodecyl]oxetane
CID 66633104
(Z)-1-(oxetan-2-yl)heptadec-8-en-4-amine
CID 67045755

Frequently Asked Questions

What is the IUPAC name of 2-[4-[1-(oxetan-2-yl)nonan-4-yloxy]nonyl]oxetane?
The IUPAC name of 2-[4-[1-(oxetan-2-yl)nonan-4-yloxy]nonyl]oxetane (CID 66633096) is 2-[4-[1-(oxetan-2-yl)nonan-4-yloxy]nonyl]oxetane.
What is the SMILES notation for 2-[4-[1-(oxetan-2-yl)nonan-4-yloxy]nonyl]oxetane?
The canonical SMILES for 2-[4-[1-(oxetan-2-yl)nonan-4-yloxy]nonyl]oxetane is CCCCCC(CCCC1CCO1)OC(CCCCC)CCCC1CCO1.
What is the InChIKey of 2-[4-[1-(oxetan-2-yl)nonan-4-yloxy]nonyl]oxetane?
The InChIKey is RRBZSAGXPZQBOZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C24H46O3/c1-3-5-7-11-23(15-9-13-21-17-19-25-21)27-24(12-8-6-4-2)16-10-14-22-18-20-26-22/h21-24H,3-20H2,1-2H3.
What are the key properties of 2-[4-[1-(oxetan-2-yl)nonan-4-yloxy]nonyl]oxetane?
2-[4-[1-(oxetan-2-yl)nonan-4-yloxy]nonyl]oxetane has a molecular weight of 382.63 g/mol, XLogP of 6.82, 18 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[4-[1-(oxetan-2-yl)nonan-4-yloxy]nonyl]oxetane is sourced from PubChem (CID 66633096), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).