(3S)-5-iodo-3-methylpent-1-ene

C6H11I — CID 130996747

IUPAC(3S)-5-iodo-3-methylpent-1-ene
SMILESC=C[C@@H](C)CCI
InChIInChI=1S/C6H11I/c1-3-6(2)4-5-7/h3,6H,1,4-5H2,2H3/t6-/m1/s1
InChIKeyVSPLDITUPZUOTK-ZCFIWIBFSA-N
MW210.06 g/mol
LogP2.63
Rot. Bonds3

About (3S)-5-iodo-3-methylpent-1-ene

(3S)-5-iodo-3-methylpent-1-ene (PubChem CID 130996747) has the molecular formula C6H11I and a molecular weight of 210.06 g/mol. Its IUPAC name is (3S)-5-iodo-3-methylpent-1-ene.

Molecular Properties

Compound Name(3S)-5-iodo-3-methylpent-1-ene
PubChem CID130996747
Molecular FormulaC6H11I
Molecular Weight210.06 g/mol
Exact Mass209.99
IUPAC Name(3S)-5-iodo-3-methylpent-1-ene
SMILESC=C[C@@H](C)CCI
InChIInChI=1S/C6H11I/c1-3-6(2)4-5-7/h3,6H,1,4-5H2,2H3/t6-/m1/s1
InChIKeyVSPLDITUPZUOTK-ZCFIWIBFSA-N
XLogP2.63
TPSA0.00 Ų
H-Bond Donors
H-Bond Acceptors
Rotatable Bonds3
Heavy Atoms7
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500210.06
LogP ≤ 52.63
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

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 (3S)-5-iodo-3-methylpent-1-ene?
The IUPAC name of (3S)-5-iodo-3-methylpent-1-ene (CID 130996747) is (3S)-5-iodo-3-methylpent-1-ene.
What is the SMILES notation for (3S)-5-iodo-3-methylpent-1-ene?
The canonical SMILES for (3S)-5-iodo-3-methylpent-1-ene is C=C[C@@H](C)CCI.
What is the InChIKey of (3S)-5-iodo-3-methylpent-1-ene?
The InChIKey is VSPLDITUPZUOTK-ZCFIWIBFSA-N. The full InChI is InChI=1S/C6H11I/c1-3-6(2)4-5-7/h3,6H,1,4-5H2,2H3/t6-/m1/s1.
What are the key properties of (3S)-5-iodo-3-methylpent-1-ene?
(3S)-5-iodo-3-methylpent-1-ene has a molecular weight of 210.06 g/mol, XLogP of 2.63, 3 rotatable bonds, 0 hydrogen bond donors, and 0 hydrogen bond acceptors.
Where does this data come from?
All data for (3S)-5-iodo-3-methylpent-1-ene is sourced from PubChem (CID 130996747), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).