1,3-dichloro-5-[(E)-3-methylbut-1-enyl]benzene

C11H12Cl2 — CID 67988300

IUPAC1,3-dichloro-5-[(E)-3-methylbut-1-enyl]benzene
SMILESCC(C)/C=C/c1cc(Cl)cc(Cl)c1
InChIInChI=1S/C11H12Cl2/c1-8(2)3-4-9-5-10(12)7-11(13)6-9/h3-8H,1-2H3/b4-3+
InChIKeyRNISVXMEDSYVBY-ONEGZZNKSA-N
MW215.12 g/mol
LogP4.66
Rot. Bonds2

About 1,3-dichloro-5-[(E)-3-methylbut-1-enyl]benzene

1,3-dichloro-5-[(E)-3-methylbut-1-enyl]benzene (PubChem CID 67988300) has the molecular formula C11H12Cl2 and a molecular weight of 215.12 g/mol. Its IUPAC name is 1,3-dichloro-5-[(E)-3-methylbut-1-enyl]benzene.

Molecular Properties

Compound Name1,3-dichloro-5-[(E)-3-methylbut-1-enyl]benzene
PubChem CID67988300
Molecular FormulaC11H12Cl2
Molecular Weight215.12 g/mol
Exact Mass214.03
IUPAC Name1,3-dichloro-5-[(E)-3-methylbut-1-enyl]benzene
SMILESCC(C)/C=C/c1cc(Cl)cc(Cl)c1
InChIInChI=1S/C11H12Cl2/c1-8(2)3-4-9-5-10(12)7-11(13)6-9/h3-8H,1-2H3/b4-3+
InChIKeyRNISVXMEDSYVBY-ONEGZZNKSA-N
XLogP4.66
TPSA0.00 Ų
H-Bond Donors
H-Bond Acceptors
Rotatable Bonds2
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500215.12
LogP ≤ 54.66
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 100

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Frequently Asked Questions

What is the IUPAC name of 1,3-dichloro-5-[(E)-3-methylbut-1-enyl]benzene?
The IUPAC name of 1,3-dichloro-5-[(E)-3-methylbut-1-enyl]benzene (CID 67988300) is 1,3-dichloro-5-[(E)-3-methylbut-1-enyl]benzene.
What is the SMILES notation for 1,3-dichloro-5-[(E)-3-methylbut-1-enyl]benzene?
The canonical SMILES for 1,3-dichloro-5-[(E)-3-methylbut-1-enyl]benzene is CC(C)/C=C/c1cc(Cl)cc(Cl)c1.
What is the InChIKey of 1,3-dichloro-5-[(E)-3-methylbut-1-enyl]benzene?
The InChIKey is RNISVXMEDSYVBY-ONEGZZNKSA-N. The full InChI is InChI=1S/C11H12Cl2/c1-8(2)3-4-9-5-10(12)7-11(13)6-9/h3-8H,1-2H3/b4-3+.
What are the key properties of 1,3-dichloro-5-[(E)-3-methylbut-1-enyl]benzene?
1,3-dichloro-5-[(E)-3-methylbut-1-enyl]benzene has a molecular weight of 215.12 g/mol, XLogP of 4.66, 2 rotatable bonds, 0 hydrogen bond donors, and 0 hydrogen bond acceptors.
Where does this data come from?
All data for 1,3-dichloro-5-[(E)-3-methylbut-1-enyl]benzene is sourced from PubChem (CID 67988300), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).