(E,3S)-1-iodo-3-methylpent-1-ene

C6H11I — CID 24773193

IUPAC(E,3S)-1-iodo-3-methylpent-1-ene
SMILESCC[C@H](C)/C=C/I
InChIInChI=1S/C6H11I/c1-3-6(2)4-5-7/h4-6H,3H2,1-2H3/b5-4+/t6-/m0/s1
InChIKeyCXOZSVBHFHWMJU-OVCGOVNKSA-N
MW210.06 g/mol
LogP2.98
Rot. Bonds2

About (E,3S)-1-iodo-3-methylpent-1-ene

(E,3S)-1-iodo-3-methylpent-1-ene (PubChem CID 24773193) has the molecular formula C6H11I and a molecular weight of 210.06 g/mol. Its IUPAC name is (E,3S)-1-iodo-3-methylpent-1-ene.

Molecular Properties

Compound Name(E,3S)-1-iodo-3-methylpent-1-ene
PubChem CID24773193
Molecular FormulaC6H11I
Molecular Weight210.06 g/mol
Exact Mass209.99
IUPAC Name(E,3S)-1-iodo-3-methylpent-1-ene
SMILESCC[C@H](C)/C=C/I
InChIInChI=1S/C6H11I/c1-3-6(2)4-5-7/h4-6H,3H2,1-2H3/b5-4+/t6-/m0/s1
InChIKeyCXOZSVBHFHWMJU-OVCGOVNKSA-N
XLogP2.98
TPSA0.00 Ų
H-Bond Donors
H-Bond Acceptors
Rotatable Bonds2
Heavy Atoms7
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500210.06
LogP ≤ 52.98
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 100

Computed Properties (RDKit)

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

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Related Compounds

3,6-dimethyloct-4-ene
CID 73165576
(Z)-5-methylhept-3-ene
CID 5364727
(1E,3S,5Z)-1-iodo-3-methylnona-1,5-diene
CID 59372903
trimethyl-[(E)-3-methylpent-1-enyl]silane
CID 14792795
(E)-4-methylhex-2-en-1-ol
CID 12036147
(E,5R)-5-methylhept-3-enoic acid
CID 11636814
(1Z,3Z)-5-methylhepta-1,3-dien-1-amine
CID 144815707
3,6-dimethyloct-4-ene-1,1-diol
CID 139779740
(E)-3-methylnon-4-ene
CID 13082837
chloro-methyl-(3-methylpent-1-enyl)silane
CID 123916531
3,7,8-trimethylnon-4-ene
CID 91465939
2,2,6-trimethyloct-4-ene
CID 91281227

Frequently Asked Questions

What is the IUPAC name of (E,3S)-1-iodo-3-methylpent-1-ene?
The IUPAC name of (E,3S)-1-iodo-3-methylpent-1-ene (CID 24773193) is (E,3S)-1-iodo-3-methylpent-1-ene.
What is the SMILES notation for (E,3S)-1-iodo-3-methylpent-1-ene?
The canonical SMILES for (E,3S)-1-iodo-3-methylpent-1-ene is CC[C@H](C)/C=C/I.
What is the InChIKey of (E,3S)-1-iodo-3-methylpent-1-ene?
The InChIKey is CXOZSVBHFHWMJU-OVCGOVNKSA-N. The full InChI is InChI=1S/C6H11I/c1-3-6(2)4-5-7/h4-6H,3H2,1-2H3/b5-4+/t6-/m0/s1.
What are the key properties of (E,3S)-1-iodo-3-methylpent-1-ene?
(E,3S)-1-iodo-3-methylpent-1-ene has a molecular weight of 210.06 g/mol, XLogP of 2.98, 2 rotatable bonds, 0 hydrogen bond donors, and 0 hydrogen bond acceptors.
Where does this data come from?
All data for (E,3S)-1-iodo-3-methylpent-1-ene is sourced from PubChem (CID 24773193), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).