3-(dibromomethyl)-5-(dibromomethylidene)oxolan-2-one

C6H4Br4O2 — CID 89071455

IUPAC3-(dibromomethyl)-5-(dibromomethylidene)oxolan-2-one
SMILESO=C1OC(=C(Br)Br)CC1C(Br)Br
InChIInChI=1S/C6H4Br4O2/c7-4(8)2-1-3(5(9)10)12-6(2)11/h2,4H,1H2
InChIKeyHMUZNFMYDPOXBU-UHFFFAOYSA-N
MW427.71 g/mol
LogP3.62
Rot. Bonds1

About 3-(dibromomethyl)-5-(dibromomethylidene)oxolan-2-one

3-(dibromomethyl)-5-(dibromomethylidene)oxolan-2-one (PubChem CID 89071455) has the molecular formula C6H4Br4O2 and a molecular weight of 427.71 g/mol. Its IUPAC name is 3-(dibromomethyl)-5-(dibromomethylidene)oxolan-2-one.

Molecular Properties

Compound Name3-(dibromomethyl)-5-(dibromomethylidene)oxolan-2-one
PubChem CID89071455
Molecular FormulaC6H4Br4O2
Molecular Weight427.71 g/mol
Exact Mass423.69
IUPAC Name3-(dibromomethyl)-5-(dibromomethylidene)oxolan-2-one
SMILESO=C1OC(=C(Br)Br)CC1C(Br)Br
InChIInChI=1S/C6H4Br4O2/c7-4(8)2-1-3(5(9)10)12-6(2)11/h2,4H,1H2
InChIKeyHMUZNFMYDPOXBU-UHFFFAOYSA-N
XLogP3.62
TPSA26.30 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds1
Heavy Atoms12
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500427.71
LogP ≤ 53.62
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'alkyl_halide', 'substructure': 'N/A'}

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Related Compounds

(5Z)-5-(bromomethylidene)-3-methyloxolan-2-one
CID 15706622
(5E)-5-(bromomethylidene)-3-methyloxolan-2-one
CID 15706623
4-Bromo-5-(dibromomethylidene)oxolan-2-one
CID 10268601
3,4-Dibromo-4-methyl-5-methylideneoxolan-2-one
CID 22287818
5-(Dibromomethylidene)oxolan-2-one
CID 58369812
3-(Bromomethyl)-5-(dibromomethylidene)oxolan-2-one
CID 89070666
(5Z)-4-bromo-5-(bromomethylidene)-3-methyloxolan-2-one
CID 89070677
(3S,4R)-3,4-dibromo-4-methyl-5-methylideneoxolan-2-one
CID 101474072

Frequently Asked Questions

What is the IUPAC name of 3-(dibromomethyl)-5-(dibromomethylidene)oxolan-2-one?
The IUPAC name of 3-(dibromomethyl)-5-(dibromomethylidene)oxolan-2-one (CID 89071455) is 3-(dibromomethyl)-5-(dibromomethylidene)oxolan-2-one.
What is the SMILES notation for 3-(dibromomethyl)-5-(dibromomethylidene)oxolan-2-one?
The canonical SMILES for 3-(dibromomethyl)-5-(dibromomethylidene)oxolan-2-one is O=C1OC(=C(Br)Br)CC1C(Br)Br.
What is the InChIKey of 3-(dibromomethyl)-5-(dibromomethylidene)oxolan-2-one?
The InChIKey is HMUZNFMYDPOXBU-UHFFFAOYSA-N. The full InChI is InChI=1S/C6H4Br4O2/c7-4(8)2-1-3(5(9)10)12-6(2)11/h2,4H,1H2.
What are the key properties of 3-(dibromomethyl)-5-(dibromomethylidene)oxolan-2-one?
3-(dibromomethyl)-5-(dibromomethylidene)oxolan-2-one has a molecular weight of 427.71 g/mol, XLogP of 3.62, 1 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 3-(dibromomethyl)-5-(dibromomethylidene)oxolan-2-one is sourced from PubChem (CID 89071455), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).