[(1Z,3Z)-3-bromopenta-1,3-dienyl]benzene

C11H11Br — CID 143617374

IUPAC[(1Z,3Z)-3-bromopenta-1,3-dienyl]benzene
SMILESC/C=C(Br)/C=C\c1ccccc1
InChIInChI=1S/C11H11Br/c1-2-11(12)9-8-10-6-4-3-5-7-10/h2-9H,1H3/b9-8-,11-2-
InChIKeyKYLQQBKGQNJDFI-IKHGBURDSA-N
MW223.11 g/mol
LogP4.00
Rot. Bonds2

About [(1Z,3Z)-3-bromopenta-1,3-dienyl]benzene

[(1Z,3Z)-3-bromopenta-1,3-dienyl]benzene (PubChem CID 143617374) has the molecular formula C11H11Br and a molecular weight of 223.11 g/mol. Its IUPAC name is [(1Z,3Z)-3-bromopenta-1,3-dienyl]benzene.

Molecular Properties

Compound Name[(1Z,3Z)-3-bromopenta-1,3-dienyl]benzene
PubChem CID143617374
Molecular FormulaC11H11Br
Molecular Weight223.11 g/mol
Exact Mass222.00
IUPAC Name[(1Z,3Z)-3-bromopenta-1,3-dienyl]benzene
SMILESC/C=C(Br)/C=C\c1ccccc1
InChIInChI=1S/C11H11Br/c1-2-11(12)9-8-10-6-4-3-5-7-10/h2-9H,1H3/b9-8-,11-2-
InChIKeyKYLQQBKGQNJDFI-IKHGBURDSA-N
XLogP4.00
TPSA0.00 Ų
H-Bond Donors
H-Bond Acceptors
Rotatable Bonds2
Heavy Atoms12
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500223.11
LogP ≤ 54.00
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

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CID 102383415
[(3E)-3-tert-butylpenta-1,3-dienyl]benzene
CID 144969758
(Z)-3-phenylprop-2-enoic acid
CID 5372954
(3,4-difluoro-6-phenylhexa-1,3,5-trienyl)benzene
CID 53441080
(1E,4E)-1,5-diphenylpenta-1,4-dien-3-one
CID 157206787
2-(4-phenylbut-3-en-2-ylidene)propanedioic acid
CID 85132493
(4E)-1,5-diphenylpenta-1,4-dien-3-one;propan-2-one
CID 158678637
3-phenylprop-2-enoic acid;trimethylsilane
CID 175438890
ethane;[(Z)-prop-1-enyl]benzene
CID 90831801
CID 157355117
CID 157355117
[(1E,3Z)-1-phenylpenta-1,3-dien-3-yl]selanylbenzene
CID 102274955

Frequently Asked Questions

What is the IUPAC name of [(1Z,3Z)-3-bromopenta-1,3-dienyl]benzene?
The IUPAC name of [(1Z,3Z)-3-bromopenta-1,3-dienyl]benzene (CID 143617374) is [(1Z,3Z)-3-bromopenta-1,3-dienyl]benzene.
What is the SMILES notation for [(1Z,3Z)-3-bromopenta-1,3-dienyl]benzene?
The canonical SMILES for [(1Z,3Z)-3-bromopenta-1,3-dienyl]benzene is C/C=C(Br)/C=C\c1ccccc1.
What is the InChIKey of [(1Z,3Z)-3-bromopenta-1,3-dienyl]benzene?
The InChIKey is KYLQQBKGQNJDFI-IKHGBURDSA-N. The full InChI is InChI=1S/C11H11Br/c1-2-11(12)9-8-10-6-4-3-5-7-10/h2-9H,1H3/b9-8-,11-2-.
What are the key properties of [(1Z,3Z)-3-bromopenta-1,3-dienyl]benzene?
[(1Z,3Z)-3-bromopenta-1,3-dienyl]benzene has a molecular weight of 223.11 g/mol, XLogP of 4.00, 2 rotatable bonds, 0 hydrogen bond donors, and 0 hydrogen bond acceptors.
Where does this data come from?
All data for [(1Z,3Z)-3-bromopenta-1,3-dienyl]benzene is sourced from PubChem (CID 143617374), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).