(E)-4-iodohept-2-ene

C7H13I — CID 89088342

IUPAC(E)-4-iodohept-2-ene
SMILESC/C=C/C(I)CCC
InChIInChI=1S/C7H13I/c1-3-5-7(8)6-4-2/h3,5,7H,4,6H2,1-2H3/b5-3+
InChIKeyZEJZTCHTJYPAIG-HWKANZROSA-N
MW224.08 g/mol
LogP3.17
Rot. Bonds3

About (E)-4-iodohept-2-ene

(E)-4-iodohept-2-ene (PubChem CID 89088342) has the molecular formula C7H13I and a molecular weight of 224.08 g/mol. Its IUPAC name is (E)-4-iodohept-2-ene.

Molecular Properties

Compound Name(E)-4-iodohept-2-ene
PubChem CID89088342
Molecular FormulaC7H13I
Molecular Weight224.08 g/mol
Exact Mass224.01
IUPAC Name(E)-4-iodohept-2-ene
SMILESC/C=C/C(I)CCC
InChIInChI=1S/C7H13I/c1-3-5-7(8)6-4-2/h3,5,7H,4,6H2,1-2H3/b5-3+
InChIKeyZEJZTCHTJYPAIG-HWKANZROSA-N
XLogP3.17
TPSA0.00 Ų
H-Bond Donors
H-Bond Acceptors
Rotatable Bonds3
Heavy Atoms8
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500224.08
LogP ≤ 53.17
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 100

Computed Properties (RDKit)

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

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Related Compounds

(Z)-4-methylhept-2-ene
CID 5352649
4-(iodomethyl)hept-2-ene
CID 174856864
(Z)-4-chlorohept-2-ene
CID 88578806
4-ethylhept-2-ene
CID 54449444
(Z,4R)-hept-2-en-4-amine
CID 89073928
4-propan-2-ylhept-2-ene
CID 54114231
methane;(E,4R)-4-propan-2-ylhept-2-ene
CID 158370601
2-propylpent-3-enenitrile
CID 123870826
2-pent-3-en-2-yloxypentane
CID 123238245
3-propylhex-4-enal
CID 71411188
non-2-ene-4,6-diol
CID 91115138
4-methyloct-2-ene
CID 528286

Frequently Asked Questions

What is the IUPAC name of (E)-4-iodohept-2-ene?
The IUPAC name of (E)-4-iodohept-2-ene (CID 89088342) is (E)-4-iodohept-2-ene.
What is the SMILES notation for (E)-4-iodohept-2-ene?
The canonical SMILES for (E)-4-iodohept-2-ene is C/C=C/C(I)CCC.
What is the InChIKey of (E)-4-iodohept-2-ene?
The InChIKey is ZEJZTCHTJYPAIG-HWKANZROSA-N. The full InChI is InChI=1S/C7H13I/c1-3-5-7(8)6-4-2/h3,5,7H,4,6H2,1-2H3/b5-3+.
What are the key properties of (E)-4-iodohept-2-ene?
(E)-4-iodohept-2-ene has a molecular weight of 224.08 g/mol, XLogP of 3.17, 3 rotatable bonds, 0 hydrogen bond donors, and 0 hydrogen bond acceptors.
Where does this data come from?
All data for (E)-4-iodohept-2-ene is sourced from PubChem (CID 89088342), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).