(4S)-4,6-diiodo-3-methylhex-1-ene

C7H12I2 — CID 122544065

IUPAC(4S)-4,6-diiodo-3-methylhex-1-ene
SMILESC=CC(C)[C@@H](I)CCI
InChIInChI=1S/C7H12I2/c1-3-6(2)7(9)4-5-8/h3,6-7H,1,4-5H2,2H3/t6?,7-/m0/s1
InChIKeyMZKQYJBWVIQBDR-MLWJPKLSSA-N
MW349.98 g/mol
LogP3.44
Rot. Bonds4

About (4S)-4,6-diiodo-3-methylhex-1-ene

(4S)-4,6-diiodo-3-methylhex-1-ene (PubChem CID 122544065) has the molecular formula C7H12I2 and a molecular weight of 349.98 g/mol. Its IUPAC name is (4S)-4,6-diiodo-3-methylhex-1-ene.

Molecular Properties

Compound Name(4S)-4,6-diiodo-3-methylhex-1-ene
PubChem CID122544065
Molecular FormulaC7H12I2
Molecular Weight349.98 g/mol
Exact Mass349.90
IUPAC Name(4S)-4,6-diiodo-3-methylhex-1-ene
SMILESC=CC(C)[C@@H](I)CCI
InChIInChI=1S/C7H12I2/c1-3-6(2)7(9)4-5-8/h3,6-7H,1,4-5H2,2H3/t6?,7-/m0/s1
InChIKeyMZKQYJBWVIQBDR-MLWJPKLSSA-N
XLogP3.44
TPSA0.00 Ų
H-Bond Donors
H-Bond Acceptors
Rotatable Bonds4
Heavy Atoms9
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500349.98
LogP ≤ 53.44
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

7-iodo-3,5-dimethylhept-1-en-4-ol
CID 18921061
3,4-dimethylhexa-1,5-diene
CID 521244
(3R)-1,3-diiodobutane
CID 76764224
3,4,5-trimethyloct-1-ene
CID 123841596
4-iodopent-1-ene
CID 13244562
(4S)-4-iodopent-1-ene
CID 88562936
(2R)-4-iodobutan-2-ol
CID 13089080
4-fluoro-3-methylpent-1-ene
CID 123956032
4-ethyl-3,5-dimethylhex-1-ene
CID 19044876
(3S,4R)-3-methyloct-1-en-4-amine
CID 134994572
(3R,4R)-3-methyloct-1-en-4-ol
CID 13087267
1,32-diiodo-3,7,11,15,18,22,26,30-octamethyldotriacontane
CID 71342609

Frequently Asked Questions

What is the IUPAC name of (4S)-4,6-diiodo-3-methylhex-1-ene?
The IUPAC name of (4S)-4,6-diiodo-3-methylhex-1-ene (CID 122544065) is (4S)-4,6-diiodo-3-methylhex-1-ene.
What is the SMILES notation for (4S)-4,6-diiodo-3-methylhex-1-ene?
The canonical SMILES for (4S)-4,6-diiodo-3-methylhex-1-ene is C=CC(C)[C@@H](I)CCI.
What is the InChIKey of (4S)-4,6-diiodo-3-methylhex-1-ene?
The InChIKey is MZKQYJBWVIQBDR-MLWJPKLSSA-N. The full InChI is InChI=1S/C7H12I2/c1-3-6(2)7(9)4-5-8/h3,6-7H,1,4-5H2,2H3/t6?,7-/m0/s1.
What are the key properties of (4S)-4,6-diiodo-3-methylhex-1-ene?
(4S)-4,6-diiodo-3-methylhex-1-ene has a molecular weight of 349.98 g/mol, XLogP of 3.44, 4 rotatable bonds, 0 hydrogen bond donors, and 0 hydrogen bond acceptors.
Where does this data come from?
All data for (4S)-4,6-diiodo-3-methylhex-1-ene is sourced from PubChem (CID 122544065), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).