(4R,6S)-4-ethenyl-6-iodooct-7-en-1-imine

C10H16IN — CID 163658099

IUPAC(4R,6S)-4-ethenyl-6-iodooct-7-en-1-imine
SMILES[H]/N=C/CC[C@@H](C=C)C[C@H](I)C=C
InChIInChI=1S/C10H16IN/c1-3-9(6-5-7-12)8-10(11)4-2/h3-4,7,9-10,12H,1-2,5-6,8H2/b12-7+/t9-,10-/m1/s1
InChIKeyIRZDWSIEFOEBKR-GBKBBYRWSA-N
MW277.15 g/mol
LogP3.60
Rot. Bonds7

About (4R,6S)-4-ethenyl-6-iodooct-7-en-1-imine

(4R,6S)-4-ethenyl-6-iodooct-7-en-1-imine (PubChem CID 163658099) has the molecular formula C10H16IN and a molecular weight of 277.15 g/mol. Its IUPAC name is (4R,6S)-4-ethenyl-6-iodooct-7-en-1-imine.

Molecular Properties

Compound Name(4R,6S)-4-ethenyl-6-iodooct-7-en-1-imine
PubChem CID163658099
Molecular FormulaC10H16IN
Molecular Weight277.15 g/mol
Exact Mass277.03
IUPAC Name(4R,6S)-4-ethenyl-6-iodooct-7-en-1-imine
SMILES[H]/N=C/CC[C@@H](C=C)C[C@H](I)C=C
InChIInChI=1S/C10H16IN/c1-3-9(6-5-7-12)8-10(11)4-2/h3-4,7,9-10,12H,1-2,5-6,8H2/b12-7+/t9-,10-/m1/s1
InChIKeyIRZDWSIEFOEBKR-GBKBBYRWSA-N
XLogP3.60
TPSA23.85 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds7
Heavy Atoms12
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500277.15
LogP ≤ 53.60
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 101

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'alkyl_halide', 'substructure': 'N/A'}, {'alert_name': 'imine_1', 'substructure': 'N/A'}, {'alert_name': 'iodine', 'substructure': 'N/A'}, {'alert_name': 'isolated_alkene', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of (4R,6S)-4-ethenyl-6-iodooct-7-en-1-imine?
The IUPAC name of (4R,6S)-4-ethenyl-6-iodooct-7-en-1-imine (CID 163658099) is (4R,6S)-4-ethenyl-6-iodooct-7-en-1-imine.
What is the SMILES notation for (4R,6S)-4-ethenyl-6-iodooct-7-en-1-imine?
The canonical SMILES for (4R,6S)-4-ethenyl-6-iodooct-7-en-1-imine is [H]/N=C/CC[C@@H](C=C)C[C@H](I)C=C.
What is the InChIKey of (4R,6S)-4-ethenyl-6-iodooct-7-en-1-imine?
The InChIKey is IRZDWSIEFOEBKR-GBKBBYRWSA-N. The full InChI is InChI=1S/C10H16IN/c1-3-9(6-5-7-12)8-10(11)4-2/h3-4,7,9-10,12H,1-2,5-6,8H2/b12-7+/t9-,10-/m1/s1.
What are the key properties of (4R,6S)-4-ethenyl-6-iodooct-7-en-1-imine?
(4R,6S)-4-ethenyl-6-iodooct-7-en-1-imine has a molecular weight of 277.15 g/mol, XLogP of 3.60, 7 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for (4R,6S)-4-ethenyl-6-iodooct-7-en-1-imine is sourced from PubChem (CID 163658099), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).