(E)-1,3-dichloro-2-methylbut-2-ene

C5H8Cl2 — CID 12615571

IUPAC(E)-1,3-dichloro-2-methylbut-2-ene
SMILESC/C(Cl)=C(/C)CCl
InChIInChI=1S/C5H8Cl2/c1-4(3-6)5(2)7/h3H2,1-2H3/b5-4+
InChIKeyJQYMGBZYGZMRMH-SNAWJCMRSA-N
MW139.03 g/mol
LogP2.76
Rot. Bonds1

About (E)-1,3-dichloro-2-methylbut-2-ene

(E)-1,3-dichloro-2-methylbut-2-ene (PubChem CID 12615571) has the molecular formula C5H8Cl2 and a molecular weight of 139.03 g/mol. Its IUPAC name is (E)-1,3-dichloro-2-methylbut-2-ene.

Molecular Properties

Compound Name(E)-1,3-dichloro-2-methylbut-2-ene
PubChem CID12615571
Molecular FormulaC5H8Cl2
Molecular Weight139.03 g/mol
Exact Mass138.00
IUPAC Name(E)-1,3-dichloro-2-methylbut-2-ene
SMILESC/C(Cl)=C(/C)CCl
InChIInChI=1S/C5H8Cl2/c1-4(3-6)5(2)7/h3H2,1-2H3/b5-4+
InChIKeyJQYMGBZYGZMRMH-SNAWJCMRSA-N
XLogP2.76
TPSA0.00 Ų
H-Bond Donors
H-Bond Acceptors
Rotatable Bonds1
Heavy Atoms7
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500139.03
LogP ≤ 52.76
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 100

Computed Properties (RDKit)

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

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Related Compounds

1,1,3-Trichloro-2-methyl-1-propene
CID 35875
2-Butene, 1-chloro-2,3-dimethyl-
CID 12240732
1,4-Dichloro-2-methyl-2-butene
CID 141511
2-Butene, 1,4-dichloro-2-methyl-
CID 5463098
(Z)-1,3-dichloro-2-methylbut-2-ene
CID 12615570
1-Chloro-2-(chloromethyl)but-2-ene
CID 55298594
cis-1,4-Dichloro-2-methyl-but-2-ene
CID 12528934
1,2-Dichloro-3-methylbut-2-ene
CID 12615569
(Z)-1,4-dichloro-2,3-dimethylbut-2-ene
CID 12535666
(E)-1,4-dichloro-2,3-dimethylbut-2-ene
CID 12535669
1,4-Dichloro-2,3-bis(chloromethyl)but-2-ene
CID 14530626
1,3-Dichloro-2-methyl-2-butene
CID 53970025

Frequently Asked Questions

What is the IUPAC name of (E)-1,3-dichloro-2-methylbut-2-ene?
The IUPAC name of (E)-1,3-dichloro-2-methylbut-2-ene (CID 12615571) is (E)-1,3-dichloro-2-methylbut-2-ene.
What is the SMILES notation for (E)-1,3-dichloro-2-methylbut-2-ene?
The canonical SMILES for (E)-1,3-dichloro-2-methylbut-2-ene is C/C(Cl)=C(/C)CCl.
What is the InChIKey of (E)-1,3-dichloro-2-methylbut-2-ene?
The InChIKey is JQYMGBZYGZMRMH-SNAWJCMRSA-N. The full InChI is InChI=1S/C5H8Cl2/c1-4(3-6)5(2)7/h3H2,1-2H3/b5-4+.
What are the key properties of (E)-1,3-dichloro-2-methylbut-2-ene?
(E)-1,3-dichloro-2-methylbut-2-ene has a molecular weight of 139.03 g/mol, XLogP of 2.76, 1 rotatable bonds, 0 hydrogen bond donors, and 0 hydrogen bond acceptors.
Where does this data come from?
All data for (E)-1,3-dichloro-2-methylbut-2-ene is sourced from PubChem (CID 12615571), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).