2-(2-chloroethoxy)oxepane

C8H15ClO2 — CID 24977653

IUPAC2-(2-chloroethoxy)oxepane
SMILESClCCOC1CCCCCO1
InChIInChI=1S/C8H15ClO2/c9-5-7-11-8-4-2-1-3-6-10-8/h8H,1-7H2
InChIKeyGLDOKAUEJCLIPU-UHFFFAOYSA-N
MW178.66 g/mol
LogP2.16
Rot. Bonds3

About 2-(2-chloroethoxy)oxepane

2-(2-chloroethoxy)oxepane (PubChem CID 24977653) has the molecular formula C8H15ClO2 and a molecular weight of 178.66 g/mol. Its IUPAC name is 2-(2-chloroethoxy)oxepane.

Molecular Properties

Compound Name2-(2-chloroethoxy)oxepane
PubChem CID24977653
Molecular FormulaC8H15ClO2
Molecular Weight178.66 g/mol
Exact Mass178.08
IUPAC Name2-(2-chloroethoxy)oxepane
SMILESClCCOC1CCCCCO1
InChIInChI=1S/C8H15ClO2/c9-5-7-11-8-4-2-1-3-6-10-8/h8H,1-7H2
InChIKeyGLDOKAUEJCLIPU-UHFFFAOYSA-N
XLogP2.16
TPSA18.46 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms11
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500178.66
LogP ≤ 52.16
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

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Related Compounds

2-[2-[2-[2-[2-[2-[2-(2-chloroethoxy)ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]oxane
CID 10646224
(2S)-2-(3-chloropropoxy)oxane
CID 36690971
2-(12-chlorododecoxy)oxane
CID 14014573
2-[5-[5-(oxan-2-yloxy)pentoxy]pentoxy]oxane
CID 155771365
2-[2-[(2R,3S)-3-(chloromethyl)oxiran-2-yl]ethoxy]oxane
CID 11964355
ethane;2-(oxan-2-yloxy)ethanol
CID 143259213
18-(oxan-2-yloxy)octadecylphosphanium iodide
CID 157231904
2-(12-bromododecoxy)oxane
CID 11078592
2-[(2E,4E)-6-(oxan-2-yloxy)hexa-2,4-dienoxy]oxane
CID 14026777
zinc 2-(3-bromopropoxy)oxane
CID 175895645
2-[2-[2-[3-[2-[2-(oxan-2-yloxy)ethoxy]ethoxy]-2,2-bis[2-[2-(oxan-2-yloxy)ethoxy]ethoxymethyl]propoxy]ethoxy]ethoxy]oxane
CID 11181986
2-[2-[2-[2-(oxetan-2-yloxy)ethylsulfanyl]ethylsulfanyl]ethoxy]oxane
CID 142135457

Frequently Asked Questions

What is the IUPAC name of 2-(2-chloroethoxy)oxepane?
The IUPAC name of 2-(2-chloroethoxy)oxepane (CID 24977653) is 2-(2-chloroethoxy)oxepane.
What is the SMILES notation for 2-(2-chloroethoxy)oxepane?
The canonical SMILES for 2-(2-chloroethoxy)oxepane is ClCCOC1CCCCCO1.
What is the InChIKey of 2-(2-chloroethoxy)oxepane?
The InChIKey is GLDOKAUEJCLIPU-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H15ClO2/c9-5-7-11-8-4-2-1-3-6-10-8/h8H,1-7H2.
What are the key properties of 2-(2-chloroethoxy)oxepane?
2-(2-chloroethoxy)oxepane has a molecular weight of 178.66 g/mol, XLogP of 2.16, 3 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(2-chloroethoxy)oxepane is sourced from PubChem (CID 24977653), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).