(2R)-2-[(E)-5-bromopent-2-enoxy]oxane

C10H17BrO2 — CID 125476035

IUPAC(2R)-2-[(E)-5-bromopent-2-enoxy]oxane
SMILESBrCC/C=C/CO[C@@H]1CCCCO1
InChIInChI=1S/C10H17BrO2/c11-7-3-1-4-8-12-10-6-2-5-9-13-10/h1,4,10H,2-3,5-9H2/b4-1+/t10-/m0/s1
InChIKeyKCMNVODVNDIRGH-DTWDLQQISA-N
MW249.15 g/mol
LogP2.87
Rot. Bonds5

About (2R)-2-[(E)-5-bromopent-2-enoxy]oxane

(2R)-2-[(E)-5-bromopent-2-enoxy]oxane (PubChem CID 125476035) has the molecular formula C10H17BrO2 and a molecular weight of 249.15 g/mol. Its IUPAC name is (2R)-2-[(E)-5-bromopent-2-enoxy]oxane.

Molecular Properties

Compound Name(2R)-2-[(E)-5-bromopent-2-enoxy]oxane
PubChem CID125476035
Molecular FormulaC10H17BrO2
Molecular Weight249.15 g/mol
Exact Mass248.04
IUPAC Name(2R)-2-[(E)-5-bromopent-2-enoxy]oxane
SMILESBrCC/C=C/CO[C@@H]1CCCCO1
InChIInChI=1S/C10H17BrO2/c11-7-3-1-4-8-12-10-6-2-5-9-13-10/h1,4,10H,2-3,5-9H2/b4-1+/t10-/m0/s1
InChIKeyKCMNVODVNDIRGH-DTWDLQQISA-N
XLogP2.87
TPSA18.46 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds5
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500249.15
LogP ≤ 52.87
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

Structural Alerts{'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)-5-iodopent-2-enoxy]oxane
CID 12871483
2-[(2E,4E)-6-(oxan-2-yloxy)hexa-2,4-dienoxy]oxane
CID 14026777
2-[(E)-hept-2-en-6-ynoxy]oxane
CID 14728076
2-[(E)-hept-2-enoxy]oxane
CID 12861157
2-(8-chlorooct-2-enoxy)oxane
CID 71417540
2-[(E)-7,7-diiodohept-2-enoxy]oxane
CID 45278178
(E)-7-(oxan-2-yloxy)hept-5-en-2-one
CID 10632332
methyl (Z)-6-(oxan-2-yloxy)hex-4-enoate
CID 11310730
(Z)-9-(oxan-2-yloxy)non-7-enoic acid
CID 71310420
(2R)-2-[(E)-pent-2-en-4-ynoxy]oxane
CID 95562312
2-but-2-enoxyoxolane
CID 86088707

Frequently Asked Questions

What is the IUPAC name of (2R)-2-[(E)-5-bromopent-2-enoxy]oxane?
The IUPAC name of (2R)-2-[(E)-5-bromopent-2-enoxy]oxane (CID 125476035) is (2R)-2-[(E)-5-bromopent-2-enoxy]oxane.
What is the SMILES notation for (2R)-2-[(E)-5-bromopent-2-enoxy]oxane?
The canonical SMILES for (2R)-2-[(E)-5-bromopent-2-enoxy]oxane is BrCC/C=C/CO[C@@H]1CCCCO1.
What is the InChIKey of (2R)-2-[(E)-5-bromopent-2-enoxy]oxane?
The InChIKey is KCMNVODVNDIRGH-DTWDLQQISA-N. The full InChI is InChI=1S/C10H17BrO2/c11-7-3-1-4-8-12-10-6-2-5-9-13-10/h1,4,10H,2-3,5-9H2/b4-1+/t10-/m0/s1.
What are the key properties of (2R)-2-[(E)-5-bromopent-2-enoxy]oxane?
(2R)-2-[(E)-5-bromopent-2-enoxy]oxane has a molecular weight of 249.15 g/mol, XLogP of 2.87, 5 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for (2R)-2-[(E)-5-bromopent-2-enoxy]oxane is sourced from PubChem (CID 125476035), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).