(5S)-6-iodo-5-methylhex-1-ene

C7H13I — CID 14470371

IUPAC(5S)-6-iodo-5-methylhex-1-ene
SMILESC=CCC[C@H](C)CI
InChIInChI=1S/C7H13I/c1-3-4-5-7(2)6-8/h3,7H,1,4-6H2,2H3/t7-/m0/s1
InChIKeyHUIKIYCEFBWBKT-ZETCQYMHSA-N
MW224.08 g/mol
LogP3.02
Rot. Bonds4

About (5S)-6-iodo-5-methylhex-1-ene

(5S)-6-iodo-5-methylhex-1-ene (PubChem CID 14470371) has the molecular formula C7H13I and a molecular weight of 224.08 g/mol. Its IUPAC name is (5S)-6-iodo-5-methylhex-1-ene.

Molecular Properties

Compound Name(5S)-6-iodo-5-methylhex-1-ene
PubChem CID14470371
Molecular FormulaC7H13I
Molecular Weight224.08 g/mol
Exact Mass224.01
IUPAC Name(5S)-6-iodo-5-methylhex-1-ene
SMILESC=CCC[C@H](C)CI
InChIInChI=1S/C7H13I/c1-3-4-5-7(2)6-8/h3,7H,1,4-6H2,2H3/t7-/m0/s1
InChIKeyHUIKIYCEFBWBKT-ZETCQYMHSA-N
XLogP3.02
TPSA0.00 Ų
H-Bond Donors
H-Bond Acceptors
Rotatable Bonds4
Heavy Atoms8
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500224.08
LogP ≤ 53.02
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

ethane;4-methylocta-1,7-diene
CID 144616064
(4S)-5-iodo-4-methylpent-1-ene
CID 101059144
butane;ethane;5-methylhept-1-ene
CID 143370195
bis(buta-1,3-diene);5-methylhex-1-ene
CID 174724270
5,9-dimethyldeca-1,8-diene
CID 12578605
5-methylheptadec-1-ene
CID 172780073
5-methylicos-1-ene
CID 145462707
(3S)-3-methylhept-6-enoic acid
CID 11815469
(3S)-3-methylhepta-1,6-diene
CID 145257056
hex-5-ene-2-thiol
CID 12575095
5,6,8-trimethylnon-1-ene
CID 123478459
(5R)-5-methylnona-1,8-dien-3-one
CID 10582957

Frequently Asked Questions

What is the IUPAC name of (5S)-6-iodo-5-methylhex-1-ene?
The IUPAC name of (5S)-6-iodo-5-methylhex-1-ene (CID 14470371) is (5S)-6-iodo-5-methylhex-1-ene.
What is the SMILES notation for (5S)-6-iodo-5-methylhex-1-ene?
The canonical SMILES for (5S)-6-iodo-5-methylhex-1-ene is C=CCC[C@H](C)CI.
What is the InChIKey of (5S)-6-iodo-5-methylhex-1-ene?
The InChIKey is HUIKIYCEFBWBKT-ZETCQYMHSA-N. The full InChI is InChI=1S/C7H13I/c1-3-4-5-7(2)6-8/h3,7H,1,4-6H2,2H3/t7-/m0/s1.
What are the key properties of (5S)-6-iodo-5-methylhex-1-ene?
(5S)-6-iodo-5-methylhex-1-ene has a molecular weight of 224.08 g/mol, XLogP of 3.02, 4 rotatable bonds, 0 hydrogen bond donors, and 0 hydrogen bond acceptors.
Where does this data come from?
All data for (5S)-6-iodo-5-methylhex-1-ene is sourced from PubChem (CID 14470371), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).