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

C8H14Cl2 — CID 5463035

IUPAC(E)-2,5-dichloro-2,5-dimethylhex-3-ene
SMILESCC(C)(Cl)/C=C/C(C)(C)Cl
InChIInChI=1S/C8H14Cl2/c1-7(2,9)5-6-8(3,4)10/h5-6H,1-4H3/b6-5+
InChIKeyANSLDRRWTXDPKO-AATRIKPKSA-N
MW181.11 g/mol
LogP3.58
Rot. Bonds2

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

(E)-2,5-dichloro-2,5-dimethylhex-3-ene (PubChem CID 5463035) has the molecular formula C8H14Cl2 and a molecular weight of 181.11 g/mol. Its IUPAC name is (E)-2,5-dichloro-2,5-dimethylhex-3-ene.

Molecular Properties

Compound Name(E)-2,5-dichloro-2,5-dimethylhex-3-ene
PubChem CID5463035
Molecular FormulaC8H14Cl2
Molecular Weight181.11 g/mol
Exact Mass180.05
IUPAC Name(E)-2,5-dichloro-2,5-dimethylhex-3-ene
SMILESCC(C)(Cl)/C=C/C(C)(C)Cl
InChIInChI=1S/C8H14Cl2/c1-7(2,9)5-6-8(3,4)10/h5-6H,1-4H3/b6-5+
InChIKeyANSLDRRWTXDPKO-AATRIKPKSA-N
XLogP3.58
TPSA0.00 Ų
H-Bond Donors
H-Bond Acceptors
Rotatable Bonds2
Heavy Atoms10
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500181.11
LogP ≤ 53.58
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 100

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of (E)-2,5-dichloro-2,5-dimethylhex-3-ene?
The IUPAC name of (E)-2,5-dichloro-2,5-dimethylhex-3-ene (CID 5463035) is (E)-2,5-dichloro-2,5-dimethylhex-3-ene.
What is the SMILES notation for (E)-2,5-dichloro-2,5-dimethylhex-3-ene?
The canonical SMILES for (E)-2,5-dichloro-2,5-dimethylhex-3-ene is CC(C)(Cl)/C=C/C(C)(C)Cl.
What is the InChIKey of (E)-2,5-dichloro-2,5-dimethylhex-3-ene?
The InChIKey is ANSLDRRWTXDPKO-AATRIKPKSA-N. The full InChI is InChI=1S/C8H14Cl2/c1-7(2,9)5-6-8(3,4)10/h5-6H,1-4H3/b6-5+.
What are the key properties of (E)-2,5-dichloro-2,5-dimethylhex-3-ene?
(E)-2,5-dichloro-2,5-dimethylhex-3-ene has a molecular weight of 181.11 g/mol, XLogP of 3.58, 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-2,5-dimethylhex-3-ene is sourced from PubChem (CID 5463035), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).