1,4-dibromo-2-[(Z)-2-methylpent-3-enyl]benzene

C12H14Br2 — CID 83925856

IUPAC1,4-dibromo-2-[(Z)-2-methylpent-3-enyl]benzene
SMILESC/C=C\C(C)Cc1cc(Br)ccc1Br
InChIInChI=1S/C12H14Br2/c1-3-4-9(2)7-10-8-11(13)5-6-12(10)14/h3-6,8-9H,7H2,1-2H3/b4-3-
InChIKeySAYFLLZWQLQVGP-ARJAWSKDSA-N
MW318.05 g/mol
LogP4.97
Rot. Bonds3

About 1,4-dibromo-2-[(Z)-2-methylpent-3-enyl]benzene

1,4-dibromo-2-[(Z)-2-methylpent-3-enyl]benzene (PubChem CID 83925856) has the molecular formula C12H14Br2 and a molecular weight of 318.05 g/mol. Its IUPAC name is 1,4-dibromo-2-[(Z)-2-methylpent-3-enyl]benzene.

Molecular Properties

Compound Name1,4-dibromo-2-[(Z)-2-methylpent-3-enyl]benzene
PubChem CID83925856
Molecular FormulaC12H14Br2
Molecular Weight318.05 g/mol
Exact Mass315.95
IUPAC Name1,4-dibromo-2-[(Z)-2-methylpent-3-enyl]benzene
SMILESC/C=C\C(C)Cc1cc(Br)ccc1Br
InChIInChI=1S/C12H14Br2/c1-3-4-9(2)7-10-8-11(13)5-6-12(10)14/h3-6,8-9H,7H2,1-2H3/b4-3-
InChIKeySAYFLLZWQLQVGP-ARJAWSKDSA-N
XLogP4.97
TPSA0.00 Ų
H-Bond Donors
H-Bond Acceptors
Rotatable Bonds3
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500318.05
LogP ≤ 54.97
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 100

Computed Properties (RDKit)

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

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Related Compounds

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CID 84739331
4-bromo-1-methoxy-2-(2-methylbut-3-enyl)benzene
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1,4-dibromo-2-(bromomethyl)benzene;1,4-dibromo-2-methylbenzene
CID 158762510
2-[5-bromo-2-(2-methyl-3-oxopropyl)phenyl]acetic acid
CID 91884165
4-bromo-2-(2-methylbut-3-enyl)-1-propoxybenzene
CID 83934016
1-methoxy-2,3-dimethyl-4-[(Z)-2-methylpent-3-enyl]benzene
CID 83939747
4-[(Z)-2-methylpent-3-enyl]aniline
CID 83928464
3-(4-bromo-2-methoxyphenyl)-2-methylpropanal
CID 91884164
2-methoxy-1-[(Z)-2-methylpent-3-enyl]-4-(trifluoromethyl)benzene
CID 83921455
4-bromo-3-(2-hydroxypropyl)phenol
CID 117333494
4-bromo-2-chloro-1-(2-chloropropyl)benzene
CID 130480423
1-(2-bromo-5-chlorophenyl)propan-2-ol
CID 117377789

Frequently Asked Questions

What is the IUPAC name of 1,4-dibromo-2-[(Z)-2-methylpent-3-enyl]benzene?
The IUPAC name of 1,4-dibromo-2-[(Z)-2-methylpent-3-enyl]benzene (CID 83925856) is 1,4-dibromo-2-[(Z)-2-methylpent-3-enyl]benzene.
What is the SMILES notation for 1,4-dibromo-2-[(Z)-2-methylpent-3-enyl]benzene?
The canonical SMILES for 1,4-dibromo-2-[(Z)-2-methylpent-3-enyl]benzene is C/C=C\C(C)Cc1cc(Br)ccc1Br.
What is the InChIKey of 1,4-dibromo-2-[(Z)-2-methylpent-3-enyl]benzene?
The InChIKey is SAYFLLZWQLQVGP-ARJAWSKDSA-N. The full InChI is InChI=1S/C12H14Br2/c1-3-4-9(2)7-10-8-11(13)5-6-12(10)14/h3-6,8-9H,7H2,1-2H3/b4-3-.
What are the key properties of 1,4-dibromo-2-[(Z)-2-methylpent-3-enyl]benzene?
1,4-dibromo-2-[(Z)-2-methylpent-3-enyl]benzene has a molecular weight of 318.05 g/mol, XLogP of 4.97, 3 rotatable bonds, 0 hydrogen bond donors, and 0 hydrogen bond acceptors.
Where does this data come from?
All data for 1,4-dibromo-2-[(Z)-2-methylpent-3-enyl]benzene is sourced from PubChem (CID 83925856), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).