2-(4-bromohex-5-enoxy)oxane

C11H19BrO2 — CID 139711941

IUPAC2-(4-bromohex-5-enoxy)oxane
SMILESC=CC(Br)CCCOC1CCCCO1
InChIInChI=1S/C11H19BrO2/c1-2-10(12)6-5-9-14-11-7-3-4-8-13-11/h2,10-11H,1,3-9H2
InChIKeyKXQUFRHXQUNCAL-UHFFFAOYSA-N
MW263.17 g/mol
LogP3.26
Rot. Bonds6

About 2-(4-bromohex-5-enoxy)oxane

2-(4-bromohex-5-enoxy)oxane (PubChem CID 139711941) has the molecular formula C11H19BrO2 and a molecular weight of 263.17 g/mol. Its IUPAC name is 2-(4-bromohex-5-enoxy)oxane.

Molecular Properties

Compound Name2-(4-bromohex-5-enoxy)oxane
PubChem CID139711941
Molecular FormulaC11H19BrO2
Molecular Weight263.17 g/mol
Exact Mass262.06
IUPAC Name2-(4-bromohex-5-enoxy)oxane
SMILESC=CC(Br)CCCOC1CCCCO1
InChIInChI=1S/C11H19BrO2/c1-2-10(12)6-5-9-14-11-7-3-4-8-13-11/h2,10-11H,1,3-9H2
InChIKeyKXQUFRHXQUNCAL-UHFFFAOYSA-N
XLogP3.26
TPSA18.46 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds6
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500263.17
LogP ≤ 53.26
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-[(9E)-dodeca-9,11-dienoxy]oxane
CID 10934423
(2S)-2-pent-4-enoxyoxane
CID 58779863
5-(oxan-2-yloxy)pent-1-en-3-ol
CID 15194608
(2S)-2-(3-chloropropoxy)oxane
CID 36690971
2-(12-bromododecoxy)oxane
CID 11078592
2-[5-[5-(oxan-2-yloxy)pentoxy]pentoxy]oxane
CID 155771365
2-(6-methylheptoxy)oxane
CID 139685112
2-(12-chlorododecoxy)oxane
CID 14014573
zinc 2-(3-bromopropoxy)oxane
CID 175895645
2-(10-bromotetradecoxy)oxane
CID 23365986
(1S,2S)-2-[7-(oxan-2-yloxy)hept-1-en-3-yl]cyclopent-3-en-1-ol
CID 18640811
18-(oxan-2-yloxy)octadecylphosphanium iodide
CID 157231904

Frequently Asked Questions

What is the IUPAC name of 2-(4-bromohex-5-enoxy)oxane?
The IUPAC name of 2-(4-bromohex-5-enoxy)oxane (CID 139711941) is 2-(4-bromohex-5-enoxy)oxane.
What is the SMILES notation for 2-(4-bromohex-5-enoxy)oxane?
The canonical SMILES for 2-(4-bromohex-5-enoxy)oxane is C=CC(Br)CCCOC1CCCCO1.
What is the InChIKey of 2-(4-bromohex-5-enoxy)oxane?
The InChIKey is KXQUFRHXQUNCAL-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H19BrO2/c1-2-10(12)6-5-9-14-11-7-3-4-8-13-11/h2,10-11H,1,3-9H2.
What are the key properties of 2-(4-bromohex-5-enoxy)oxane?
2-(4-bromohex-5-enoxy)oxane has a molecular weight of 263.17 g/mol, XLogP of 3.26, 6 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(4-bromohex-5-enoxy)oxane is sourced from PubChem (CID 139711941), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).