2-(dibromomethylidene)pent-4-enoxymethylbenzene

C13H14Br2O — CID 10641284

IUPAC2-(dibromomethylidene)pent-4-enoxymethylbenzene
SMILESC=CCC(COCc1ccccc1)=C(Br)Br
InChIInChI=1S/C13H14Br2O/c1-2-6-12(13(14)15)10-16-9-11-7-4-3-5-8-11/h2-5,7-8H,1,6,9-10H2
InChIKeyRYTDSBLXNIZUIY-UHFFFAOYSA-N
MW346.06 g/mol
LogP4.78
Rot. Bonds6

About 2-(dibromomethylidene)pent-4-enoxymethylbenzene

2-(dibromomethylidene)pent-4-enoxymethylbenzene (PubChem CID 10641284) has the molecular formula C13H14Br2O and a molecular weight of 346.06 g/mol. Its IUPAC name is 2-(dibromomethylidene)pent-4-enoxymethylbenzene.

Molecular Properties

Compound Name2-(dibromomethylidene)pent-4-enoxymethylbenzene
PubChem CID10641284
Molecular FormulaC13H14Br2O
Molecular Weight346.06 g/mol
Exact Mass343.94
IUPAC Name2-(dibromomethylidene)pent-4-enoxymethylbenzene
SMILESC=CCC(COCc1ccccc1)=C(Br)Br
InChIInChI=1S/C13H14Br2O/c1-2-6-12(13(14)15)10-16-9-11-7-4-3-5-8-11/h2-5,7-8H,1,6,9-10H2
InChIKeyRYTDSBLXNIZUIY-UHFFFAOYSA-N
XLogP4.78
TPSA9.23 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds6
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500346.06
LogP ≤ 54.78
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 101

Computed Properties (RDKit)

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

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Related Compounds

2-(dideuteriomethylidene)pent-4-enoxymethylbenzene
CID 10750202
2-methylidenebut-3-enoxymethylbenzene
CID 11275317
[(2S)-2-fluoropent-4-enoxy]methylbenzene
CID 166140557
benzyl but-3-enoate
CID 11019385
phenoxy-diphenyl-[(1E)-2-(phenylmethoxymethyl)penta-1,4-dienyl]silane
CID 101410182
[(Z)-4-prop-2-enoxybut-2-enoxy]methylbenzene
CID 11053131
ethenyl(phenylmethoxymethyl)silane
CID 154024550
(Z)-1-bromo-3-phenylmethoxyprop-1-en-1-ol
CID 174340205
potassium trifluoro(3-phenylmethoxyprop-1-en-2-yl)boranuide
CID 57415755
[(2E,4E)-3,5-dibromohepta-2,4,6-trienoxy]methylbenzene
CID 143253089
CID 66734377
CID 66734377
(2S)-2-amino-2-(phenylmethoxymethyl)pent-4-en-1-ol
CID 102246332

Frequently Asked Questions

What is the IUPAC name of 2-(dibromomethylidene)pent-4-enoxymethylbenzene?
The IUPAC name of 2-(dibromomethylidene)pent-4-enoxymethylbenzene (CID 10641284) is 2-(dibromomethylidene)pent-4-enoxymethylbenzene.
What is the SMILES notation for 2-(dibromomethylidene)pent-4-enoxymethylbenzene?
The canonical SMILES for 2-(dibromomethylidene)pent-4-enoxymethylbenzene is C=CCC(COCc1ccccc1)=C(Br)Br.
What is the InChIKey of 2-(dibromomethylidene)pent-4-enoxymethylbenzene?
The InChIKey is RYTDSBLXNIZUIY-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H14Br2O/c1-2-6-12(13(14)15)10-16-9-11-7-4-3-5-8-11/h2-5,7-8H,1,6,9-10H2.
What are the key properties of 2-(dibromomethylidene)pent-4-enoxymethylbenzene?
2-(dibromomethylidene)pent-4-enoxymethylbenzene has a molecular weight of 346.06 g/mol, XLogP of 4.78, 6 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(dibromomethylidene)pent-4-enoxymethylbenzene is sourced from PubChem (CID 10641284), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).