(E)-2,5-dichloro-3-methylpent-2-ene

C6H10Cl2 — CID 55302480

IUPAC(E)-2,5-dichloro-3-methylpent-2-ene
SMILESC/C(Cl)=C(/C)CCCl
InChIInChI=1S/C6H10Cl2/c1-5(3-4-7)6(2)8/h3-4H2,1-2H3/b6-5+
InChIKeyIIIUQNPVELVFGK-AATRIKPKSA-N
MW153.05 g/mol
LogP3.15
Rot. Bonds2

About (E)-2,5-dichloro-3-methylpent-2-ene

(E)-2,5-dichloro-3-methylpent-2-ene (PubChem CID 55302480) has the molecular formula C6H10Cl2 and a molecular weight of 153.05 g/mol. Its IUPAC name is (E)-2,5-dichloro-3-methylpent-2-ene.

Molecular Properties

Compound Name(E)-2,5-dichloro-3-methylpent-2-ene
PubChem CID55302480
Molecular FormulaC6H10Cl2
Molecular Weight153.05 g/mol
Exact Mass152.02
IUPAC Name(E)-2,5-dichloro-3-methylpent-2-ene
SMILESC/C(Cl)=C(/C)CCCl
InChIInChI=1S/C6H10Cl2/c1-5(3-4-7)6(2)8/h3-4H2,1-2H3/b6-5+
InChIKeyIIIUQNPVELVFGK-AATRIKPKSA-N
XLogP3.15
TPSA0.00 Ų
H-Bond Donors
H-Bond Acceptors
Rotatable Bonds2
Heavy Atoms8
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500153.05
LogP ≤ 53.15
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 100

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of (E)-2,5-dichloro-3-methylpent-2-ene?
The IUPAC name of (E)-2,5-dichloro-3-methylpent-2-ene (CID 55302480) is (E)-2,5-dichloro-3-methylpent-2-ene.
What is the SMILES notation for (E)-2,5-dichloro-3-methylpent-2-ene?
The canonical SMILES for (E)-2,5-dichloro-3-methylpent-2-ene is C/C(Cl)=C(/C)CCCl.
What is the InChIKey of (E)-2,5-dichloro-3-methylpent-2-ene?
The InChIKey is IIIUQNPVELVFGK-AATRIKPKSA-N. The full InChI is InChI=1S/C6H10Cl2/c1-5(3-4-7)6(2)8/h3-4H2,1-2H3/b6-5+.
What are the key properties of (E)-2,5-dichloro-3-methylpent-2-ene?
(E)-2,5-dichloro-3-methylpent-2-ene has a molecular weight of 153.05 g/mol, XLogP of 3.15, 2 rotatable bonds, 0 hydrogen bond donors, and 0 hydrogen bond acceptors.
Where does this data come from?
All data for (E)-2,5-dichloro-3-methylpent-2-ene is sourced from PubChem (CID 55302480), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).