2-(12-chlorododecoxy)oxane

C17H33ClO2 — CID 14014573

IUPAC2-(12-chlorododecoxy)oxane
SMILESClCCCCCCCCCCCCOC1CCCCO1
InChIInChI=1S/C17H33ClO2/c18-14-10-7-5-3-1-2-4-6-8-11-15-19-17-13-9-12-16-20-17/h17H,1-16H2
InChIKeyUYBRJZOQHOPJIW-UHFFFAOYSA-N
MW304.90 g/mol
LogP5.67
Rot. Bonds13

About 2-(12-chlorododecoxy)oxane

2-(12-chlorododecoxy)oxane (PubChem CID 14014573) has the molecular formula C17H33ClO2 and a molecular weight of 304.90 g/mol. Its IUPAC name is 2-(12-chlorododecoxy)oxane.

Molecular Properties

Compound Name2-(12-chlorododecoxy)oxane
PubChem CID14014573
Molecular FormulaC17H33ClO2
Molecular Weight304.90 g/mol
Exact Mass304.22
IUPAC Name2-(12-chlorododecoxy)oxane
SMILESClCCCCCCCCCCCCOC1CCCCO1
InChIInChI=1S/C17H33ClO2/c18-14-10-7-5-3-1-2-4-6-8-11-15-19-17-13-9-12-16-20-17/h17H,1-16H2
InChIKeyUYBRJZOQHOPJIW-UHFFFAOYSA-N
XLogP5.67
TPSA18.46 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds13
Heavy Atoms20
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500304.90
LogP ≤ 55.67
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

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Related Compounds

(2S)-2-(3-chloropropoxy)oxane
CID 36690971
2-[5-[5-(oxan-2-yloxy)pentoxy]pentoxy]oxane
CID 155771365
2-(2-chloroethoxy)oxepane
CID 24977653
18-(oxan-2-yloxy)octadecylphosphanium iodide
CID 157231904
2-(12-bromododecoxy)oxane
CID 11078592
12-(oxan-2-yloxy)dodecan-1-amine
CID 170028710
2-(18-iodooctadecoxy)oxane
CID 86124950
2-octacosoxyoxane
CID 11214102
2-(14-cyclobutyltetradecoxy)oxane
CID 151611436
2-[2-[2-[2-[2-[2-[2-(2-chloroethoxy)ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]oxane
CID 10646224
2-(8-chlorooct-2-enoxy)oxane
CID 71417540
2-[5-(oxiran-2-yl)pentoxy]oxane
CID 169009121

Frequently Asked Questions

What is the IUPAC name of 2-(12-chlorododecoxy)oxane?
The IUPAC name of 2-(12-chlorododecoxy)oxane (CID 14014573) is 2-(12-chlorododecoxy)oxane.
What is the SMILES notation for 2-(12-chlorododecoxy)oxane?
The canonical SMILES for 2-(12-chlorododecoxy)oxane is ClCCCCCCCCCCCCOC1CCCCO1.
What is the InChIKey of 2-(12-chlorododecoxy)oxane?
The InChIKey is UYBRJZOQHOPJIW-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H33ClO2/c18-14-10-7-5-3-1-2-4-6-8-11-15-19-17-13-9-12-16-20-17/h17H,1-16H2.
What are the key properties of 2-(12-chlorododecoxy)oxane?
2-(12-chlorododecoxy)oxane has a molecular weight of 304.90 g/mol, XLogP of 5.67, 13 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(12-chlorododecoxy)oxane is sourced from PubChem (CID 14014573), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).