2-(8-chlorooct-2-enoxy)oxane

C13H23ClO2 — CID 71417540

IUPAC2-(8-chlorooct-2-enoxy)oxane
SMILESClCCCCCC=CCOC1CCCCO1
InChIInChI=1S/C13H23ClO2/c14-10-6-3-1-2-4-7-11-15-13-9-5-8-12-16-13/h4,7,13H,1-3,5-6,8-12H2
InChIKeyUTRLRWGNIGYVJG-UHFFFAOYSA-N
MW246.78 g/mol
LogP3.88
Rot. Bonds8

About 2-(8-chlorooct-2-enoxy)oxane

2-(8-chlorooct-2-enoxy)oxane (PubChem CID 71417540) has the molecular formula C13H23ClO2 and a molecular weight of 246.78 g/mol. Its IUPAC name is 2-(8-chlorooct-2-enoxy)oxane.

Molecular Properties

Compound Name2-(8-chlorooct-2-enoxy)oxane
PubChem CID71417540
Molecular FormulaC13H23ClO2
Molecular Weight246.78 g/mol
Exact Mass246.14
IUPAC Name2-(8-chlorooct-2-enoxy)oxane
SMILESClCCCCCC=CCOC1CCCCO1
InChIInChI=1S/C13H23ClO2/c14-10-6-3-1-2-4-7-11-15-13-9-5-8-12-16-13/h4,7,13H,1-3,5-6,8-12H2
InChIKeyUTRLRWGNIGYVJG-UHFFFAOYSA-N
XLogP3.88
TPSA18.46 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds8
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500246.78
LogP ≤ 53.88
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'}, {'alert_name': 'isolated_alkene', 'substructure': 'N/A'}

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Related Compounds

2-[(E)-4-(oxan-2-yloxy)but-2-enoxy]oxane
CID 14103518
2-[(E)-hept-2-enoxy]oxane
CID 12861157
(Z)-9-(oxan-2-yloxy)non-7-enoic acid
CID 71310420
2-[(2E,4E)-6-(oxan-2-yloxy)hexa-2,4-dienoxy]oxane
CID 14026777
2-(12-chlorododecoxy)oxane
CID 14014573
(2R)-2-[(E)-5-bromopent-2-enoxy]oxane
CID 125476035
2-[(E)-5-iodopent-2-enoxy]oxane
CID 12871483
2-[(E)-7,7-diiodohept-2-enoxy]oxane
CID 45278178
2-[(E)-hept-2-en-6-ynoxy]oxane
CID 14728076
(5Z,14Z)-19-(oxan-2-yloxy)nonadeca-5,14-dien-1-ol
CID 153316547
(2R)-2-[(E)-dodec-5-enoxy]oxane
CID 125486255
2-[(6Z,12Z)-octadeca-6,12-dienoxy]oxane
CID 163386037

Frequently Asked Questions

What is the IUPAC name of 2-(8-chlorooct-2-enoxy)oxane?
The IUPAC name of 2-(8-chlorooct-2-enoxy)oxane (CID 71417540) is 2-(8-chlorooct-2-enoxy)oxane.
What is the SMILES notation for 2-(8-chlorooct-2-enoxy)oxane?
The canonical SMILES for 2-(8-chlorooct-2-enoxy)oxane is ClCCCCCC=CCOC1CCCCO1.
What is the InChIKey of 2-(8-chlorooct-2-enoxy)oxane?
The InChIKey is UTRLRWGNIGYVJG-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H23ClO2/c14-10-6-3-1-2-4-7-11-15-13-9-5-8-12-16-13/h4,7,13H,1-3,5-6,8-12H2.
What are the key properties of 2-(8-chlorooct-2-enoxy)oxane?
2-(8-chlorooct-2-enoxy)oxane has a molecular weight of 246.78 g/mol, XLogP of 3.88, 8 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(8-chlorooct-2-enoxy)oxane is sourced from PubChem (CID 71417540), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).