(5R)-5-[(1S,2E)-10,10-dibromo-1-methoxydeca-2,9-dienyl]oxolan-2-one

C15H22Br2O3 — CID 51002897

IUPAC(5R)-5-[(1S,2E)-10,10-dibromo-1-methoxydeca-2,9-dienyl]oxolan-2-one
SMILESCO[C@@H](/C=C/CCCCCC=C(Br)Br)[C@H]1CCC(=O)O1
InChIInChI=1S/C15H22Br2O3/c1-19-12(13-10-11-15(18)20-13)8-6-4-2-3-5-7-9-14(16)17/h6,8-9,12-13H,2-5,7,10-11H2,1H3/b8-6+/t12-,13+/m0/s1
InChIKeyBIIOETBIMPWOIM-FRNKVXGRSA-N
MW410.15 g/mol
LogP4.84
Rot. Bonds9

About (5R)-5-[(1S,2E)-10,10-dibromo-1-methoxydeca-2,9-dienyl]oxolan-2-one

(5R)-5-[(1S,2E)-10,10-dibromo-1-methoxydeca-2,9-dienyl]oxolan-2-one (PubChem CID 51002897) has the molecular formula C15H22Br2O3 and a molecular weight of 410.15 g/mol. Its IUPAC name is (5R)-5-[(1S,2E)-10,10-dibromo-1-methoxydeca-2,9-dienyl]oxolan-2-one.

Molecular Properties

Compound Name(5R)-5-[(1S,2E)-10,10-dibromo-1-methoxydeca-2,9-dienyl]oxolan-2-one
PubChem CID51002897
Molecular FormulaC15H22Br2O3
Molecular Weight410.15 g/mol
Exact Mass407.99
IUPAC Name(5R)-5-[(1S,2E)-10,10-dibromo-1-methoxydeca-2,9-dienyl]oxolan-2-one
SMILESCO[C@@H](/C=C/CCCCCC=C(Br)Br)[C@H]1CCC(=O)O1
InChIInChI=1S/C15H22Br2O3/c1-19-12(13-10-11-15(18)20-13)8-6-4-2-3-5-7-9-14(16)17/h6,8-9,12-13H,2-5,7,10-11H2,1H3/b8-6+/t12-,13+/m0/s1
InChIKeyBIIOETBIMPWOIM-FRNKVXGRSA-N
XLogP4.84
TPSA35.53 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds9
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500410.15
LogP ≤ 54.84
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

Analyze (5R)-5-[(1S,2E)-10,10-dibromo-1-methoxydeca-2,9-dienyl]oxolan-2-one with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Frequently Asked Questions

What is the IUPAC name of (5R)-5-[(1S,2E)-10,10-dibromo-1-methoxydeca-2,9-dienyl]oxolan-2-one?
The IUPAC name of (5R)-5-[(1S,2E)-10,10-dibromo-1-methoxydeca-2,9-dienyl]oxolan-2-one (CID 51002897) is (5R)-5-[(1S,2E)-10,10-dibromo-1-methoxydeca-2,9-dienyl]oxolan-2-one.
What is the SMILES notation for (5R)-5-[(1S,2E)-10,10-dibromo-1-methoxydeca-2,9-dienyl]oxolan-2-one?
The canonical SMILES for (5R)-5-[(1S,2E)-10,10-dibromo-1-methoxydeca-2,9-dienyl]oxolan-2-one is CO[C@@H](/C=C/CCCCCC=C(Br)Br)[C@H]1CCC(=O)O1.
What is the InChIKey of (5R)-5-[(1S,2E)-10,10-dibromo-1-methoxydeca-2,9-dienyl]oxolan-2-one?
The InChIKey is BIIOETBIMPWOIM-FRNKVXGRSA-N. The full InChI is InChI=1S/C15H22Br2O3/c1-19-12(13-10-11-15(18)20-13)8-6-4-2-3-5-7-9-14(16)17/h6,8-9,12-13H,2-5,7,10-11H2,1H3/b8-6+/t12-,13+/m0/s1.
What are the key properties of (5R)-5-[(1S,2E)-10,10-dibromo-1-methoxydeca-2,9-dienyl]oxolan-2-one?
(5R)-5-[(1S,2E)-10,10-dibromo-1-methoxydeca-2,9-dienyl]oxolan-2-one has a molecular weight of 410.15 g/mol, XLogP of 4.84, 9 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for (5R)-5-[(1S,2E)-10,10-dibromo-1-methoxydeca-2,9-dienyl]oxolan-2-one is sourced from PubChem (CID 51002897), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).