(6E)-6-(bromomethylidene)oxan-2-one

C6H7BrO2 — CID 15706621

IUPAC(6E)-6-(bromomethylidene)oxan-2-one
SMILESO=C1CCC/C(=C\Br)O1
InChIInChI=1S/C6H7BrO2/c7-4-5-2-1-3-6(8)9-5/h4H,1-3H2/b5-4+
InChIKeyLCRYFNQWSFRVCH-SNAWJCMRSA-N
MW191.02 g/mol
LogP1.95
Rot. Bonds

About (6E)-6-(bromomethylidene)oxan-2-one

(6E)-6-(bromomethylidene)oxan-2-one (PubChem CID 15706621) has the molecular formula C6H7BrO2 and a molecular weight of 191.02 g/mol. Its IUPAC name is (6E)-6-(bromomethylidene)oxan-2-one.

Molecular Properties

Compound Name(6E)-6-(bromomethylidene)oxan-2-one
PubChem CID15706621
Molecular FormulaC6H7BrO2
Molecular Weight191.02 g/mol
Exact Mass189.96
IUPAC Name(6E)-6-(bromomethylidene)oxan-2-one
SMILESO=C1CCC/C(=C\Br)O1
InChIInChI=1S/C6H7BrO2/c7-4-5-2-1-3-6(8)9-5/h4H,1-3H2/b5-4+
InChIKeyLCRYFNQWSFRVCH-SNAWJCMRSA-N
XLogP1.95
TPSA26.30 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds
Heavy Atoms9
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500191.02
LogP ≤ 51.95
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of (6E)-6-(bromomethylidene)oxan-2-one?
The IUPAC name of (6E)-6-(bromomethylidene)oxan-2-one (CID 15706621) is (6E)-6-(bromomethylidene)oxan-2-one.
What is the SMILES notation for (6E)-6-(bromomethylidene)oxan-2-one?
The canonical SMILES for (6E)-6-(bromomethylidene)oxan-2-one is O=C1CCC/C(=C\Br)O1.
What is the InChIKey of (6E)-6-(bromomethylidene)oxan-2-one?
The InChIKey is LCRYFNQWSFRVCH-SNAWJCMRSA-N. The full InChI is InChI=1S/C6H7BrO2/c7-4-5-2-1-3-6(8)9-5/h4H,1-3H2/b5-4+.
What are the key properties of (6E)-6-(bromomethylidene)oxan-2-one?
(6E)-6-(bromomethylidene)oxan-2-one has a molecular weight of 191.02 g/mol, XLogP of 1.95, 0 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for (6E)-6-(bromomethylidene)oxan-2-one is sourced from PubChem (CID 15706621), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).