2-[(Z)-3-bromobut-2-enoxy]oxane

C9H15BrO2 — CID 134897615

IUPAC2-[(Z)-3-bromobut-2-enoxy]oxane
SMILESC/C(Br)=C/COC1CCCCO1
InChIInChI=1S/C9H15BrO2/c1-8(10)5-7-12-9-4-2-3-6-11-9/h5,9H,2-4,6-7H2,1H3/b8-5-
InChIKeyGXVWESBHVSBNFU-YVMONPNESA-N
MW235.12 g/mol
LogP2.83
Rot. Bonds3

About 2-[(Z)-3-bromobut-2-enoxy]oxane

2-[(Z)-3-bromobut-2-enoxy]oxane (PubChem CID 134897615) has the molecular formula C9H15BrO2 and a molecular weight of 235.12 g/mol. Its IUPAC name is 2-[(Z)-3-bromobut-2-enoxy]oxane.

Molecular Properties

Compound Name2-[(Z)-3-bromobut-2-enoxy]oxane
PubChem CID134897615
Molecular FormulaC9H15BrO2
Molecular Weight235.12 g/mol
Exact Mass234.03
IUPAC Name2-[(Z)-3-bromobut-2-enoxy]oxane
SMILESC/C(Br)=C/COC1CCCCO1
InChIInChI=1S/C9H15BrO2/c1-8(10)5-7-12-9-4-2-3-6-11-9/h5,9H,2-4,6-7H2,1H3/b8-5-
InChIKeyGXVWESBHVSBNFU-YVMONPNESA-N
XLogP2.83
TPSA18.46 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms12
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500235.12
LogP ≤ 52.83
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of 2-[(Z)-3-bromobut-2-enoxy]oxane?
The IUPAC name of 2-[(Z)-3-bromobut-2-enoxy]oxane (CID 134897615) is 2-[(Z)-3-bromobut-2-enoxy]oxane.
What is the SMILES notation for 2-[(Z)-3-bromobut-2-enoxy]oxane?
The canonical SMILES for 2-[(Z)-3-bromobut-2-enoxy]oxane is C/C(Br)=C/COC1CCCCO1.
What is the InChIKey of 2-[(Z)-3-bromobut-2-enoxy]oxane?
The InChIKey is GXVWESBHVSBNFU-YVMONPNESA-N. The full InChI is InChI=1S/C9H15BrO2/c1-8(10)5-7-12-9-4-2-3-6-11-9/h5,9H,2-4,6-7H2,1H3/b8-5-.
What are the key properties of 2-[(Z)-3-bromobut-2-enoxy]oxane?
2-[(Z)-3-bromobut-2-enoxy]oxane has a molecular weight of 235.12 g/mol, XLogP of 2.83, 3 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[(Z)-3-bromobut-2-enoxy]oxane is sourced from PubChem (CID 134897615), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).