(E)-3-chloro-4-iodohex-3-ene

C6H10ClI — CID 13028137

IUPAC(E)-3-chloro-4-iodohex-3-ene
SMILESCC/C(Cl)=C(\I)CC
InChIInChI=1S/C6H10ClI/c1-3-5(7)6(8)4-2/h3-4H2,1-2H3/b6-5+
InChIKeyQYMQVSHLKIKQIG-AATRIKPKSA-N
MW244.50 g/mol
LogP3.69
Rot. Bonds2

About (E)-3-chloro-4-iodohex-3-ene

(E)-3-chloro-4-iodohex-3-ene (PubChem CID 13028137) has the molecular formula C6H10ClI and a molecular weight of 244.50 g/mol. Its IUPAC name is (E)-3-chloro-4-iodohex-3-ene.

Molecular Properties

Compound Name(E)-3-chloro-4-iodohex-3-ene
PubChem CID13028137
Molecular FormulaC6H10ClI
Molecular Weight244.50 g/mol
Exact Mass243.95
IUPAC Name(E)-3-chloro-4-iodohex-3-ene
SMILESCC/C(Cl)=C(\I)CC
InChIInChI=1S/C6H10ClI/c1-3-5(7)6(8)4-2/h3-4H2,1-2H3/b6-5+
InChIKeyQYMQVSHLKIKQIG-AATRIKPKSA-N
XLogP3.69
TPSA0.00 Ų
H-Bond Donors
H-Bond Acceptors
Rotatable Bonds2
Heavy Atoms8
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500244.50
LogP ≤ 53.69
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 100

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of (E)-3-chloro-4-iodohex-3-ene?
The IUPAC name of (E)-3-chloro-4-iodohex-3-ene (CID 13028137) is (E)-3-chloro-4-iodohex-3-ene.
What is the SMILES notation for (E)-3-chloro-4-iodohex-3-ene?
The canonical SMILES for (E)-3-chloro-4-iodohex-3-ene is CC/C(Cl)=C(\I)CC.
What is the InChIKey of (E)-3-chloro-4-iodohex-3-ene?
The InChIKey is QYMQVSHLKIKQIG-AATRIKPKSA-N. The full InChI is InChI=1S/C6H10ClI/c1-3-5(7)6(8)4-2/h3-4H2,1-2H3/b6-5+.
What are the key properties of (E)-3-chloro-4-iodohex-3-ene?
(E)-3-chloro-4-iodohex-3-ene has a molecular weight of 244.50 g/mol, XLogP of 3.69, 2 rotatable bonds, 0 hydrogen bond donors, and 0 hydrogen bond acceptors.
Where does this data come from?
All data for (E)-3-chloro-4-iodohex-3-ene is sourced from PubChem (CID 13028137), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).