1-bromo-2-ethenyl-3-[(Z)-prop-1-enyl]benzene;butane

C15H21Br — CID 142595555

IUPAC1-bromo-2-ethenyl-3-[(Z)-prop-1-enyl]benzene;butane
SMILESC=Cc1c(Br)cccc1/C=C\C.CCCC
InChIInChI=1S/C11H11Br.C4H10/c1-3-6-9-7-5-8-11(12)10(9)4-2;1-3-4-2/h3-8H,2H2,1H3;3-4H2,1-2H3/b6-3-;
InChIKeyJFJAMORIQPOTML-AQPBACSKSA-N
MW281.24 g/mol
LogP5.93
Rot. Bonds3

About 1-bromo-2-ethenyl-3-[(Z)-prop-1-enyl]benzene;butane

1-bromo-2-ethenyl-3-[(Z)-prop-1-enyl]benzene;butane (PubChem CID 142595555) has the molecular formula C15H21Br and a molecular weight of 281.24 g/mol. Its IUPAC name is 1-bromo-2-ethenyl-3-[(Z)-prop-1-enyl]benzene;butane.

Molecular Properties

Compound Name1-bromo-2-ethenyl-3-[(Z)-prop-1-enyl]benzene;butane
PubChem CID142595555
Molecular FormulaC15H21Br
Molecular Weight281.24 g/mol
Exact Mass280.08
IUPAC Name1-bromo-2-ethenyl-3-[(Z)-prop-1-enyl]benzene;butane
SMILESC=Cc1c(Br)cccc1/C=C\C.CCCC
InChIInChI=1S/C11H11Br.C4H10/c1-3-6-9-7-5-8-11(12)10(9)4-2;1-3-4-2/h3-8H,2H2,1H3;3-4H2,1-2H3/b6-3-;
InChIKeyJFJAMORIQPOTML-AQPBACSKSA-N
XLogP5.93
TPSA0.00 Ų
H-Bond Donors
H-Bond Acceptors
Rotatable Bonds3
Heavy Atoms16
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500281.24
LogP ≤ 55.93
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 100

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Related Compounds

1-ethenyl-2-ethyl-3-prop-1-enylbenzene
CID 90726745
1,2,3-tris[(Z)-prop-1-enyl]benzene
CID 173113389
1-bromo-3-ethenyl-2-propylbenzene
CID 171086774
ethane;1-ethenyl-2-[(Z)-prop-1-enyl]benzene;methylphosphane;propane
CID 142250050
1-bromo-2-butyl-3-ethenylbenzene
CID 68743980
1-ethenyl-2-[(Z)-prop-1-enyl]benzene;N-ethylpropan-1-amine
CID 156725547
6-bromo-3-ethenyl-2-[(Z)-prop-1-enyl]benzaldehyde
CID 143407181
1,4-dibromo-2-ethenyl-3-prop-1-enylnaphthalene
CID 123587907
1,5-bis(prop-1-enyl)naphthalene
CID 139669430
1-[(3,5-dimethylphenyl)methyl]-3-ethenyl-2-[(Z)-prop-1-enyl]benzene
CID 144614062
1-ethenyl-3-methoxy-2-[(Z)-prop-1-enyl]benzene
CID 88997100
3-ethenyl-4-[(Z)-prop-1-enyl]-1H-pyridin-2-one
CID 143270524

Frequently Asked Questions

What is the IUPAC name of 1-bromo-2-ethenyl-3-[(Z)-prop-1-enyl]benzene;butane?
The IUPAC name of 1-bromo-2-ethenyl-3-[(Z)-prop-1-enyl]benzene;butane (CID 142595555) is 1-bromo-2-ethenyl-3-[(Z)-prop-1-enyl]benzene;butane.
What is the SMILES notation for 1-bromo-2-ethenyl-3-[(Z)-prop-1-enyl]benzene;butane?
The canonical SMILES for 1-bromo-2-ethenyl-3-[(Z)-prop-1-enyl]benzene;butane is C=Cc1c(Br)cccc1/C=C\C.CCCC.
What is the InChIKey of 1-bromo-2-ethenyl-3-[(Z)-prop-1-enyl]benzene;butane?
The InChIKey is JFJAMORIQPOTML-AQPBACSKSA-N. The full InChI is InChI=1S/C11H11Br.C4H10/c1-3-6-9-7-5-8-11(12)10(9)4-2;1-3-4-2/h3-8H,2H2,1H3;3-4H2,1-2H3/b6-3-;.
What are the key properties of 1-bromo-2-ethenyl-3-[(Z)-prop-1-enyl]benzene;butane?
1-bromo-2-ethenyl-3-[(Z)-prop-1-enyl]benzene;butane has a molecular weight of 281.24 g/mol, XLogP of 5.93, 3 rotatable bonds, 0 hydrogen bond donors, and 0 hydrogen bond acceptors.
Where does this data come from?
All data for 1-bromo-2-ethenyl-3-[(Z)-prop-1-enyl]benzene;butane is sourced from PubChem (CID 142595555), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).