(5Z)-4-bromo-5-(bromomethylidene)-3-decylfuran-2-one

C15H22Br2O2 — CID 52946441

IUPAC(5Z)-4-bromo-5-(bromomethylidene)-3-decylfuran-2-one
SMILESCCCCCCCCCCC1=C(Br)/C(=C/Br)OC1=O
InChIInChI=1S/C15H22Br2O2/c1-2-3-4-5-6-7-8-9-10-12-14(17)13(11-16)19-15(12)18/h11H,2-10H2,1H3/b13-11-
InChIKeyOEQPLQFRAMEXEF-QBFSEMIESA-N
MW394.15 g/mol
LogP5.96
Rot. Bonds9

About (5Z)-4-bromo-5-(bromomethylidene)-3-decylfuran-2-one

(5Z)-4-bromo-5-(bromomethylidene)-3-decylfuran-2-one (PubChem CID 52946441) has the molecular formula C15H22Br2O2 and a molecular weight of 394.15 g/mol. Its IUPAC name is (5Z)-4-bromo-5-(bromomethylidene)-3-decylfuran-2-one.

Molecular Properties

Compound Name(5Z)-4-bromo-5-(bromomethylidene)-3-decylfuran-2-one
PubChem CID52946441
Molecular FormulaC15H22Br2O2
Molecular Weight394.15 g/mol
Exact Mass392.00
IUPAC Name(5Z)-4-bromo-5-(bromomethylidene)-3-decylfuran-2-one
SMILESCCCCCCCCCCC1=C(Br)/C(=C/Br)OC1=O
InChIInChI=1S/C15H22Br2O2/c1-2-3-4-5-6-7-8-9-10-12-14(17)13(11-16)19-15(12)18/h11H,2-10H2,1H3/b13-11-
InChIKeyOEQPLQFRAMEXEF-QBFSEMIESA-N
XLogP5.96
TPSA26.30 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds9
Heavy Atoms19
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500394.15
LogP ≤ 55.96
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of (5Z)-4-bromo-5-(bromomethylidene)-3-decylfuran-2-one?
The IUPAC name of (5Z)-4-bromo-5-(bromomethylidene)-3-decylfuran-2-one (CID 52946441) is (5Z)-4-bromo-5-(bromomethylidene)-3-decylfuran-2-one.
What is the SMILES notation for (5Z)-4-bromo-5-(bromomethylidene)-3-decylfuran-2-one?
The canonical SMILES for (5Z)-4-bromo-5-(bromomethylidene)-3-decylfuran-2-one is CCCCCCCCCCC1=C(Br)/C(=C/Br)OC1=O.
What is the InChIKey of (5Z)-4-bromo-5-(bromomethylidene)-3-decylfuran-2-one?
The InChIKey is OEQPLQFRAMEXEF-QBFSEMIESA-N. The full InChI is InChI=1S/C15H22Br2O2/c1-2-3-4-5-6-7-8-9-10-12-14(17)13(11-16)19-15(12)18/h11H,2-10H2,1H3/b13-11-.
What are the key properties of (5Z)-4-bromo-5-(bromomethylidene)-3-decylfuran-2-one?
(5Z)-4-bromo-5-(bromomethylidene)-3-decylfuran-2-one has a molecular weight of 394.15 g/mol, XLogP of 5.96, 9 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for (5Z)-4-bromo-5-(bromomethylidene)-3-decylfuran-2-one is sourced from PubChem (CID 52946441), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).