[(Z)-4-bromohex-3-en-5-ynyl]benzene

C12H11Br — CID 101059609

IUPAC[(Z)-4-bromohex-3-en-5-ynyl]benzene
SMILESC#C/C(Br)=C/CCc1ccccc1
InChIInChI=1S/C12H11Br/c1-2-12(13)10-6-9-11-7-4-3-5-8-11/h1,3-5,7-8,10H,6,9H2/b12-10-
InChIKeyOKHMGHADKMUSAA-BENRWUELSA-N
MW235.12 g/mol
LogP3.53
Rot. Bonds3

About [(Z)-4-bromohex-3-en-5-ynyl]benzene

[(Z)-4-bromohex-3-en-5-ynyl]benzene (PubChem CID 101059609) has the molecular formula C12H11Br and a molecular weight of 235.12 g/mol. Its IUPAC name is [(Z)-4-bromohex-3-en-5-ynyl]benzene.

Molecular Properties

Compound Name[(Z)-4-bromohex-3-en-5-ynyl]benzene
PubChem CID101059609
Molecular FormulaC12H11Br
Molecular Weight235.12 g/mol
Exact Mass234.00
IUPAC Name[(Z)-4-bromohex-3-en-5-ynyl]benzene
SMILESC#C/C(Br)=C/CCc1ccccc1
InChIInChI=1S/C12H11Br/c1-2-12(13)10-6-9-11-7-4-3-5-8-11/h1,3-5,7-8,10H,6,9H2/b12-10-
InChIKeyOKHMGHADKMUSAA-BENRWUELSA-N
XLogP3.53
TPSA0.00 Ų
H-Bond Donors
H-Bond Acceptors
Rotatable Bonds3
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500235.12
LogP ≤ 53.53
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 100

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of [(Z)-4-bromohex-3-en-5-ynyl]benzene?
The IUPAC name of [(Z)-4-bromohex-3-en-5-ynyl]benzene (CID 101059609) is [(Z)-4-bromohex-3-en-5-ynyl]benzene.
What is the SMILES notation for [(Z)-4-bromohex-3-en-5-ynyl]benzene?
The canonical SMILES for [(Z)-4-bromohex-3-en-5-ynyl]benzene is C#C/C(Br)=C/CCc1ccccc1.
What is the InChIKey of [(Z)-4-bromohex-3-en-5-ynyl]benzene?
The InChIKey is OKHMGHADKMUSAA-BENRWUELSA-N. The full InChI is InChI=1S/C12H11Br/c1-2-12(13)10-6-9-11-7-4-3-5-8-11/h1,3-5,7-8,10H,6,9H2/b12-10-.
What are the key properties of [(Z)-4-bromohex-3-en-5-ynyl]benzene?
[(Z)-4-bromohex-3-en-5-ynyl]benzene has a molecular weight of 235.12 g/mol, XLogP of 3.53, 3 rotatable bonds, 0 hydrogen bond donors, and 0 hydrogen bond acceptors.
Where does this data come from?
All data for [(Z)-4-bromohex-3-en-5-ynyl]benzene is sourced from PubChem (CID 101059609), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).