(4S)-5-iodo-4-methylpent-1-ene

C6H10I+ — CID 162410621

IUPAC(4S)-5-iodo-4-methylpent-1-ene
SMILES[H]/[C+]=C/C[C@H](C)CI
InChIInChI=1S/C6H10I/c1-3-4-6(2)5-7/h1,3,6H,4-5H2,2H3/q+1/t6-/m0/s1
InChIKeyHBUQHCKCDGVNFF-LURJTMIESA-N
MW209.05 g/mol
LogP2.44
Rot. Bonds3

About (4S)-5-iodo-4-methylpent-1-ene

(4S)-5-iodo-4-methylpent-1-ene (PubChem CID 162410621) has the molecular formula C6H10I+ and a molecular weight of 209.05 g/mol. Its IUPAC name is (4S)-5-iodo-4-methylpent-1-ene.

Molecular Properties

Compound Name(4S)-5-iodo-4-methylpent-1-ene
PubChem CID162410621
Molecular FormulaC6H10I+
Molecular Weight209.05 g/mol
Exact Mass208.98
IUPAC Name(4S)-5-iodo-4-methylpent-1-ene
SMILES[H]/[C+]=C/C[C@H](C)CI
InChIInChI=1S/C6H10I/c1-3-4-6(2)5-7/h1,3,6H,4-5H2,2H3/q+1/t6-/m0/s1
InChIKeyHBUQHCKCDGVNFF-LURJTMIESA-N
XLogP2.44
TPSA0.00 Ų
H-Bond Donors
H-Bond Acceptors
Rotatable Bonds3
Heavy Atoms7
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500209.05
LogP ≤ 52.44
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 100

Computed Properties (RDKit)

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

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Related Compounds

4-Methyl-1-pentene
CID 12724
3-Methyl-1-pentene
CID 12969
1,5-Hexadiene, 3-methyl-
CID 137073
4-Iodopent-1-ene
CID 13244562
(s)-3-Methyl-1-pentene
CID 12375450
(3R)-3-methylpent-1-ene
CID 12375451
cis-1-Iodo-1-pentene
CID 11116953
(E)-1-iodo-1-pentene
CID 12173745
(E)-1-iodo-3-methylbut-1-ene
CID 14571425
3-Iodo-1-pentene
CID 54238517
Qsifpxknyantbe-uhfffaoysa-
CID 13618729
(Z)-1-Iodo-3-methyl-1-butene
CID 14571426

Frequently Asked Questions

What is the IUPAC name of (4S)-5-iodo-4-methylpent-1-ene?
The IUPAC name of (4S)-5-iodo-4-methylpent-1-ene (CID 162410621) is (4S)-5-iodo-4-methylpent-1-ene.
What is the SMILES notation for (4S)-5-iodo-4-methylpent-1-ene?
The canonical SMILES for (4S)-5-iodo-4-methylpent-1-ene is [H]/[C+]=C/C[C@H](C)CI.
What is the InChIKey of (4S)-5-iodo-4-methylpent-1-ene?
The InChIKey is HBUQHCKCDGVNFF-LURJTMIESA-N. The full InChI is InChI=1S/C6H10I/c1-3-4-6(2)5-7/h1,3,6H,4-5H2,2H3/q+1/t6-/m0/s1.
What are the key properties of (4S)-5-iodo-4-methylpent-1-ene?
(4S)-5-iodo-4-methylpent-1-ene has a molecular weight of 209.05 g/mol, XLogP of 2.44, 3 rotatable bonds, 0 hydrogen bond donors, and 0 hydrogen bond acceptors.
Where does this data come from?
All data for (4S)-5-iodo-4-methylpent-1-ene is sourced from PubChem (CID 162410621), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).