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

C6H11I — CID 101059144

IUPAC(4S)-5-iodo-4-methylpent-1-ene
SMILESC=CC[C@H](C)CI
InChIInChI=1S/C6H11I/c1-3-4-6(2)5-7/h3,6H,1,4-5H2,2H3/t6-/m0/s1
InChIKeyALIUFFILWFWJPY-LURJTMIESA-N
MW210.06 g/mol
LogP2.63
Rot. Bonds3

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

(4S)-5-iodo-4-methylpent-1-ene (PubChem CID 101059144) has the molecular formula C6H11I and a molecular weight of 210.06 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 CID101059144
Molecular FormulaC6H11I
Molecular Weight210.06 g/mol
Exact Mass209.99
IUPAC Name(4S)-5-iodo-4-methylpent-1-ene
SMILESC=CC[C@H](C)CI
InChIInChI=1S/C6H11I/c1-3-4-6(2)5-7/h3,6H,1,4-5H2,2H3/t6-/m0/s1
InChIKeyALIUFFILWFWJPY-LURJTMIESA-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

(5S)-6-iodo-5-methylhex-1-ene
CID 14470371
4-iodopent-1-ene
CID 13244562
(4S)-4-iodopent-1-ene
CID 88562936
sodium;hydride;4-methylhex-1-ene
CID 173048656
methanol;(2S)-2-methylpent-4-en-1-ol
CID 143099829
ethane;4-methylocta-1,7-diene
CID 144616064
methyl-bis(2-methylpent-4-enyl)silane
CID 123891649
4-methyloct-1-en-6-yne
CID 142524284
(3S)-3-methylhex-5-enenitrile
CID 139905657
4-methyl-5-propan-2-yloxypent-1-ene
CID 144799299
4-propan-2-ylhepta-1,6-diene
CID 14140894
N-pent-4-en-2-ylmethanimine
CID 123777591

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 101059144) 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 C=CC[C@H](C)CI.
What is the InChIKey of (4S)-5-iodo-4-methylpent-1-ene?
The InChIKey is ALIUFFILWFWJPY-LURJTMIESA-N. The full InChI is InChI=1S/C6H11I/c1-3-4-6(2)5-7/h3,6H,1,4-5H2,2H3/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 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 (4S)-5-iodo-4-methylpent-1-ene is sourced from PubChem (CID 101059144), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).