(4R)-4-chloro-2-iodohept-1-ene

C7H12ClI — CID 154992040

IUPAC(4R)-4-chloro-2-iodohept-1-ene
SMILESC=C(I)C[C@H](Cl)CCC
InChIInChI=1S/C7H12ClI/c1-3-4-7(8)5-6(2)9/h7H,2-5H2,1H3/t7-/m1/s1
InChIKeyVDVFNZZFTMZSEA-SSDOTTSWSA-N
MW258.53 g/mol
LogP3.73
Rot. Bonds4

About (4R)-4-chloro-2-iodohept-1-ene

(4R)-4-chloro-2-iodohept-1-ene (PubChem CID 154992040) has the molecular formula C7H12ClI and a molecular weight of 258.53 g/mol. Its IUPAC name is (4R)-4-chloro-2-iodohept-1-ene.

Molecular Properties

Compound Name(4R)-4-chloro-2-iodohept-1-ene
PubChem CID154992040
Molecular FormulaC7H12ClI
Molecular Weight258.53 g/mol
Exact Mass257.97
IUPAC Name(4R)-4-chloro-2-iodohept-1-ene
SMILESC=C(I)C[C@H](Cl)CCC
InChIInChI=1S/C7H12ClI/c1-3-4-7(8)5-6(2)9/h7H,2-5H2,1H3/t7-/m1/s1
InChIKeyVDVFNZZFTMZSEA-SSDOTTSWSA-N
XLogP3.73
TPSA0.00 Ų
H-Bond Donors
H-Bond Acceptors
Rotatable Bonds4
Heavy Atoms9
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500258.53
LogP ≤ 53.73
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'}

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Frequently Asked Questions

What is the IUPAC name of (4R)-4-chloro-2-iodohept-1-ene?
The IUPAC name of (4R)-4-chloro-2-iodohept-1-ene (CID 154992040) is (4R)-4-chloro-2-iodohept-1-ene.
What is the SMILES notation for (4R)-4-chloro-2-iodohept-1-ene?
The canonical SMILES for (4R)-4-chloro-2-iodohept-1-ene is C=C(I)C[C@H](Cl)CCC.
What is the InChIKey of (4R)-4-chloro-2-iodohept-1-ene?
The InChIKey is VDVFNZZFTMZSEA-SSDOTTSWSA-N. The full InChI is InChI=1S/C7H12ClI/c1-3-4-7(8)5-6(2)9/h7H,2-5H2,1H3/t7-/m1/s1.
What are the key properties of (4R)-4-chloro-2-iodohept-1-ene?
(4R)-4-chloro-2-iodohept-1-ene has a molecular weight of 258.53 g/mol, XLogP of 3.73, 4 rotatable bonds, 0 hydrogen bond donors, and 0 hydrogen bond acceptors.
Where does this data come from?
All data for (4R)-4-chloro-2-iodohept-1-ene is sourced from PubChem (CID 154992040), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).