2-bromo-1,3-bis(hex-5-enoxy)benzene

C18H25BrO2 — CID 10882709

IUPAC2-bromo-1,3-bis(hex-5-enoxy)benzene
SMILESC=CCCCCOc1cccc(OCCCCC=C)c1Br
InChIInChI=1S/C18H25BrO2/c1-3-5-7-9-14-20-16-12-11-13-17(18(16)19)21-15-10-8-6-4-2/h3-4,11-13H,1-2,5-10,14-15H2
InChIKeyOTOSMRUUUKKVPS-UHFFFAOYSA-N
MW353.30 g/mol
LogP5.92
Rot. Bonds12

About 2-bromo-1,3-bis(hex-5-enoxy)benzene

2-bromo-1,3-bis(hex-5-enoxy)benzene (PubChem CID 10882709) has the molecular formula C18H25BrO2 and a molecular weight of 353.30 g/mol. Its IUPAC name is 2-bromo-1,3-bis(hex-5-enoxy)benzene.

Molecular Properties

Compound Name2-bromo-1,3-bis(hex-5-enoxy)benzene
PubChem CID10882709
Molecular FormulaC18H25BrO2
Molecular Weight353.30 g/mol
Exact Mass352.10
IUPAC Name2-bromo-1,3-bis(hex-5-enoxy)benzene
SMILESC=CCCCCOc1cccc(OCCCCC=C)c1Br
InChIInChI=1S/C18H25BrO2/c1-3-5-7-9-14-20-16-12-11-13-17(18(16)19)21-15-10-8-6-4-2/h3-4,11-13H,1-2,5-10,14-15H2
InChIKeyOTOSMRUUUKKVPS-UHFFFAOYSA-N
XLogP5.92
TPSA18.46 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds12
Heavy Atoms21
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500353.30
LogP ≤ 55.92
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

Analyze 2-bromo-1,3-bis(hex-5-enoxy)benzene with MolForge

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

Launch Full Analysis

Related Compounds

2-bromo-1,3-bis(but-3-enoxy)benzene
CID 11077332
[2,6-bis(hex-5-enoxy)phenyl]boronic acid
CID 10860096
1,3-bis(dec-9-enoxy)-2-phenylbenzene
CID 134837533
2-bromo-4-fluoro-1-hex-5-enoxybenzene
CID 121012667
1-bromo-3-hex-5-enoxybenzene
CID 146004224
2-bromo-6-hex-5-enoxypyridine
CID 146338486
(2-hept-6-enoxyphenyl)methanol
CID 107007457
1-ethyl-2-hept-6-enoxybenzene
CID 107010566
2-dec-9-enoxybenzoate
CID 22354189
(2-chloro-6-pent-4-enoxyphenyl)methanol
CID 114320409
dec-9-enoxymethylbenzene
CID 91868068
3-bromo-4-hept-6-enoxybenzenesulfonamide
CID 107007678

Frequently Asked Questions

What is the IUPAC name of 2-bromo-1,3-bis(hex-5-enoxy)benzene?
The IUPAC name of 2-bromo-1,3-bis(hex-5-enoxy)benzene (CID 10882709) is 2-bromo-1,3-bis(hex-5-enoxy)benzene.
What is the SMILES notation for 2-bromo-1,3-bis(hex-5-enoxy)benzene?
The canonical SMILES for 2-bromo-1,3-bis(hex-5-enoxy)benzene is C=CCCCCOc1cccc(OCCCCC=C)c1Br.
What is the InChIKey of 2-bromo-1,3-bis(hex-5-enoxy)benzene?
The InChIKey is OTOSMRUUUKKVPS-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H25BrO2/c1-3-5-7-9-14-20-16-12-11-13-17(18(16)19)21-15-10-8-6-4-2/h3-4,11-13H,1-2,5-10,14-15H2.
What are the key properties of 2-bromo-1,3-bis(hex-5-enoxy)benzene?
2-bromo-1,3-bis(hex-5-enoxy)benzene has a molecular weight of 353.30 g/mol, XLogP of 5.92, 12 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-bromo-1,3-bis(hex-5-enoxy)benzene is sourced from PubChem (CID 10882709), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).