2-(14-cyclobutyltetradecoxy)oxane

C23H44O2 — CID 151611436

IUPAC2-(14-cyclobutyltetradecoxy)oxane
SMILESC(CCCCCCCC1CCC1)CCCCCCOC1CCCCO1
InChIInChI=1S/C23H44O2/c1(3-5-7-9-11-16-22-17-15-18-22)2-4-6-8-10-13-20-24-23-19-12-14-21-25-23/h22-23H,1-21H2
InChIKeyQMOSIONCRITBSM-UHFFFAOYSA-N
MW352.60 g/mol
LogP7.40
Rot. Bonds16

About 2-(14-cyclobutyltetradecoxy)oxane

2-(14-cyclobutyltetradecoxy)oxane (PubChem CID 151611436) has the molecular formula C23H44O2 and a molecular weight of 352.60 g/mol. Its IUPAC name is 2-(14-cyclobutyltetradecoxy)oxane.

Molecular Properties

Compound Name2-(14-cyclobutyltetradecoxy)oxane
PubChem CID151611436
Molecular FormulaC23H44O2
Molecular Weight352.60 g/mol
Exact Mass352.33
IUPAC Name2-(14-cyclobutyltetradecoxy)oxane
SMILESC(CCCCCCCC1CCC1)CCCCCCOC1CCCCO1
InChIInChI=1S/C23H44O2/c1(3-5-7-9-11-16-22-17-15-18-22)2-4-6-8-10-13-20-24-23-19-12-14-21-25-23/h22-23H,1-21H2
InChIKeyQMOSIONCRITBSM-UHFFFAOYSA-N
XLogP7.40
TPSA18.46 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds16
Heavy Atoms25
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500352.60
LogP ≤ 57.40
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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Related Compounds

2-[5-[5-(oxan-2-yloxy)pentoxy]pentoxy]oxane
CID 155771365
2-[5-(oxiran-2-yl)pentoxy]oxane
CID 169009121
2-[6-(oxiran-2-yl)hexoxy]oxane
CID 177274031
18-(oxan-2-yloxy)octadecylphosphanium iodide
CID 157231904
2-(12-bromododecoxy)oxane
CID 11078592
2-octacosoxyoxane
CID 11214102
12-(oxan-2-yloxy)dodecan-1-amine
CID 170028710
2-(12-chlorododecoxy)oxane
CID 14014573
2-(18-iodooctadecoxy)oxane
CID 86124950
(2S)-2-(3-chloropropoxy)oxane
CID 36690971
2-[6-(2-cyclopropylcyclopropyl)hexoxy]oxane
CID 85231493
[(1S,2R)-2-[5-(oxan-2-yloxy)pentyl]cyclopropyl]methanol
CID 10890082

Frequently Asked Questions

What is the IUPAC name of 2-(14-cyclobutyltetradecoxy)oxane?
The IUPAC name of 2-(14-cyclobutyltetradecoxy)oxane (CID 151611436) is 2-(14-cyclobutyltetradecoxy)oxane.
What is the SMILES notation for 2-(14-cyclobutyltetradecoxy)oxane?
The canonical SMILES for 2-(14-cyclobutyltetradecoxy)oxane is C(CCCCCCCC1CCC1)CCCCCCOC1CCCCO1.
What is the InChIKey of 2-(14-cyclobutyltetradecoxy)oxane?
The InChIKey is QMOSIONCRITBSM-UHFFFAOYSA-N. The full InChI is InChI=1S/C23H44O2/c1(3-5-7-9-11-16-22-17-15-18-22)2-4-6-8-10-13-20-24-23-19-12-14-21-25-23/h22-23H,1-21H2.
What are the key properties of 2-(14-cyclobutyltetradecoxy)oxane?
2-(14-cyclobutyltetradecoxy)oxane has a molecular weight of 352.60 g/mol, XLogP of 7.40, 16 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(14-cyclobutyltetradecoxy)oxane is sourced from PubChem (CID 151611436), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).