(E)-7-bromododec-7-ene-2,6-dione

C12H19BrO2 — CID 166959864

IUPAC(E)-7-bromododec-7-ene-2,6-dione
SMILESCCCC/C=C(/Br)C(=O)CCCC(C)=O
InChIInChI=1S/C12H19BrO2/c1-3-4-5-8-11(13)12(15)9-6-7-10(2)14/h8H,3-7,9H2,1-2H3/b11-8+
InChIKeyQGCIGYXSJDOLOT-DHZHZOJOSA-N
MW275.19 g/mol
LogP3.78
Rot. Bonds8

About (E)-7-bromododec-7-ene-2,6-dione

(E)-7-bromododec-7-ene-2,6-dione (PubChem CID 166959864) has the molecular formula C12H19BrO2 and a molecular weight of 275.19 g/mol. Its IUPAC name is (E)-7-bromododec-7-ene-2,6-dione.

Molecular Properties

Compound Name(E)-7-bromododec-7-ene-2,6-dione
PubChem CID166959864
Molecular FormulaC12H19BrO2
Molecular Weight275.19 g/mol
Exact Mass274.06
IUPAC Name(E)-7-bromododec-7-ene-2,6-dione
SMILESCCCC/C=C(/Br)C(=O)CCCC(C)=O
InChIInChI=1S/C12H19BrO2/c1-3-4-5-8-11(13)12(15)9-6-7-10(2)14/h8H,3-7,9H2,1-2H3/b11-8+
InChIKeyQGCIGYXSJDOLOT-DHZHZOJOSA-N
XLogP3.78
TPSA34.14 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds8
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500275.19
LogP ≤ 53.78
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'ene_one_hal(17)', 'substructure': 'N/A'}, {'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}, {'alert_name': 'Michael_acceptor_1', 'substructure': 'N/A'}

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Related Compounds

methyl (Z)-10-bromo-9-oxooctadec-10-enoate
CID 24800899
dodec-7-en-2-one
CID 123882998
pentadec-10-en-2-one
CID 71443705
dec-5-en-2-one
CID 71363330
hexan-2-one;molecular nitrogen
CID 174442577
nonan-2-one
CID 13187
decan-2-one
CID 12741
octadecakis(hexane);nonan-2-one
CID 173226284
ethene;hexan-2-one
CID 88765599
nonatriacontan-2-one
CID 141365496
tricosan-2-one
CID 529806
docosan-2-one
CID 522660

Frequently Asked Questions

What is the IUPAC name of (E)-7-bromododec-7-ene-2,6-dione?
The IUPAC name of (E)-7-bromododec-7-ene-2,6-dione (CID 166959864) is (E)-7-bromododec-7-ene-2,6-dione.
What is the SMILES notation for (E)-7-bromododec-7-ene-2,6-dione?
The canonical SMILES for (E)-7-bromododec-7-ene-2,6-dione is CCCC/C=C(/Br)C(=O)CCCC(C)=O.
What is the InChIKey of (E)-7-bromododec-7-ene-2,6-dione?
The InChIKey is QGCIGYXSJDOLOT-DHZHZOJOSA-N. The full InChI is InChI=1S/C12H19BrO2/c1-3-4-5-8-11(13)12(15)9-6-7-10(2)14/h8H,3-7,9H2,1-2H3/b11-8+.
What are the key properties of (E)-7-bromododec-7-ene-2,6-dione?
(E)-7-bromododec-7-ene-2,6-dione has a molecular weight of 275.19 g/mol, XLogP of 3.78, 8 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for (E)-7-bromododec-7-ene-2,6-dione is sourced from PubChem (CID 166959864), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).