(E)-1-chlorohex-2-ene

C6H11Cl — CID 5362650

IUPAC(E)-1-chlorohex-2-ene
SMILESCCC/C=C/CCl
InChIInChI=1S/C6H11Cl/c1-2-3-4-5-6-7/h4-5H,2-3,6H2,1H3/b5-4+
InChIKeyYTXXOKPWZPVIFH-SNAWJCMRSA-N
MW118.61 g/mol
LogP2.58
Rot. Bonds3

About (E)-1-chlorohex-2-ene

(E)-1-chlorohex-2-ene (PubChem CID 5362650) has the molecular formula C6H11Cl and a molecular weight of 118.61 g/mol. Its IUPAC name is (E)-1-chlorohex-2-ene.

Molecular Properties

Compound Name(E)-1-chlorohex-2-ene
PubChem CID5362650
Molecular FormulaC6H11Cl
Molecular Weight118.61 g/mol
Exact Mass118.05
IUPAC Name(E)-1-chlorohex-2-ene
SMILESCCC/C=C/CCl
InChIInChI=1S/C6H11Cl/c1-2-3-4-5-6-7/h4-5H,2-3,6H2,1H3/b5-4+
InChIKeyYTXXOKPWZPVIFH-SNAWJCMRSA-N
XLogP2.58
TPSA0.00 Ų
H-Bond Donors
H-Bond Acceptors
Rotatable Bonds3
Heavy Atoms7
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500118.61
LogP ≤ 52.58
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)-1-chlorohex-2-ene?
The IUPAC name of (E)-1-chlorohex-2-ene (CID 5362650) is (E)-1-chlorohex-2-ene.
What is the SMILES notation for (E)-1-chlorohex-2-ene?
The canonical SMILES for (E)-1-chlorohex-2-ene is CCC/C=C/CCl.
What is the InChIKey of (E)-1-chlorohex-2-ene?
The InChIKey is YTXXOKPWZPVIFH-SNAWJCMRSA-N. The full InChI is InChI=1S/C6H11Cl/c1-2-3-4-5-6-7/h4-5H,2-3,6H2,1H3/b5-4+.
What are the key properties of (E)-1-chlorohex-2-ene?
(E)-1-chlorohex-2-ene has a molecular weight of 118.61 g/mol, XLogP of 2.58, 3 rotatable bonds, 0 hydrogen bond donors, and 0 hydrogen bond acceptors.
Where does this data come from?
All data for (E)-1-chlorohex-2-ene is sourced from PubChem (CID 5362650), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).