[(1E,3E)-1-bromo-3-[(Z)-prop-1-enyl]hexa-1,3-dien-2-yl]benzene

C15H17Br — CID 142006015

IUPAC[(1E,3E)-1-bromo-3-[(Z)-prop-1-enyl]hexa-1,3-dien-2-yl]benzene
SMILESC/C=C\C(=C/CC)\C(=C/Br)c1ccccc1
InChIInChI=1S/C15H17Br/c1-3-8-13(9-4-2)15(12-16)14-10-6-5-7-11-14/h3,5-12H,4H2,1-2H3/b8-3-,13-9+,15-12+
InChIKeyATWAFHHFOFUKHR-GZNHKYGRSA-N
MW277.21 g/mol
LogP5.33
Rot. Bonds4

About [(1E,3E)-1-bromo-3-[(Z)-prop-1-enyl]hexa-1,3-dien-2-yl]benzene

[(1E,3E)-1-bromo-3-[(Z)-prop-1-enyl]hexa-1,3-dien-2-yl]benzene (PubChem CID 142006015) has the molecular formula C15H17Br and a molecular weight of 277.21 g/mol. Its IUPAC name is [(1E,3E)-1-bromo-3-[(Z)-prop-1-enyl]hexa-1,3-dien-2-yl]benzene.

Molecular Properties

Compound Name[(1E,3E)-1-bromo-3-[(Z)-prop-1-enyl]hexa-1,3-dien-2-yl]benzene
PubChem CID142006015
Molecular FormulaC15H17Br
Molecular Weight277.21 g/mol
Exact Mass276.05
IUPAC Name[(1E,3E)-1-bromo-3-[(Z)-prop-1-enyl]hexa-1,3-dien-2-yl]benzene
SMILESC/C=C\C(=C/CC)\C(=C/Br)c1ccccc1
InChIInChI=1S/C15H17Br/c1-3-8-13(9-4-2)15(12-16)14-10-6-5-7-11-14/h3,5-12H,4H2,1-2H3/b8-3-,13-9+,15-12+
InChIKeyATWAFHHFOFUKHR-GZNHKYGRSA-N
XLogP5.33
TPSA0.00 Ų
H-Bond Donors
H-Bond Acceptors
Rotatable Bonds4
Heavy Atoms16
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500277.21
LogP ≤ 55.33
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 100

Computed Properties (RDKit)

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

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Related Compounds

(E)-1-phenyl-2-[(Z)-prop-1-enyl]pent-2-en-1-imine
CID 142421269
1-bromobut-1-enylbenzene
CID 73187599
(E)-1,2-diphenylpent-2-en-1-one
CID 14568344
3-phenylhex-3-en-2-one
CID 130637770
(Z,2E)-N'-[(E)-1-(3-bromophenyl)but-1-enyl]-2-ethylidene-N-(1-phenylethylidene)pent-3-enimidamide
CID 144892656
[(1Z,3Z,5Z)-1-bromohepta-1,3,5-trien-2-yl]benzene
CID 126693561
4-phenylhexa-2,4-dien-3-ylbenzene
CID 2802592
benzene;ethane;(2Z,4Z)-4-methylhepta-2,4-diene
CID 144597093
(E)-2-[(E)-prop-1-enyl]pent-2-enoic acid
CID 14178880
[(2E,5Z)-4-methylidenehepta-2,5-dien-3-yl]benzene
CID 153494817
2-methyl-1-phenylpent-2-en-1-one
CID 130638834
hepta-2,4-dien-4-yl-methyl-diphenyl-λ4-sulfane
CID 123696902

Frequently Asked Questions

What is the IUPAC name of [(1E,3E)-1-bromo-3-[(Z)-prop-1-enyl]hexa-1,3-dien-2-yl]benzene?
The IUPAC name of [(1E,3E)-1-bromo-3-[(Z)-prop-1-enyl]hexa-1,3-dien-2-yl]benzene (CID 142006015) is [(1E,3E)-1-bromo-3-[(Z)-prop-1-enyl]hexa-1,3-dien-2-yl]benzene.
What is the SMILES notation for [(1E,3E)-1-bromo-3-[(Z)-prop-1-enyl]hexa-1,3-dien-2-yl]benzene?
The canonical SMILES for [(1E,3E)-1-bromo-3-[(Z)-prop-1-enyl]hexa-1,3-dien-2-yl]benzene is C/C=C\C(=C/CC)\C(=C/Br)c1ccccc1.
What is the InChIKey of [(1E,3E)-1-bromo-3-[(Z)-prop-1-enyl]hexa-1,3-dien-2-yl]benzene?
The InChIKey is ATWAFHHFOFUKHR-GZNHKYGRSA-N. The full InChI is InChI=1S/C15H17Br/c1-3-8-13(9-4-2)15(12-16)14-10-6-5-7-11-14/h3,5-12H,4H2,1-2H3/b8-3-,13-9+,15-12+.
What are the key properties of [(1E,3E)-1-bromo-3-[(Z)-prop-1-enyl]hexa-1,3-dien-2-yl]benzene?
[(1E,3E)-1-bromo-3-[(Z)-prop-1-enyl]hexa-1,3-dien-2-yl]benzene has a molecular weight of 277.21 g/mol, XLogP of 5.33, 4 rotatable bonds, 0 hydrogen bond donors, and 0 hydrogen bond acceptors.
Where does this data come from?
All data for [(1E,3E)-1-bromo-3-[(Z)-prop-1-enyl]hexa-1,3-dien-2-yl]benzene is sourced from PubChem (CID 142006015), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).