(4S)-4-iodopent-1-ene

C5H9I — CID 88562936

IUPAC(4S)-4-iodopent-1-ene
SMILESC=CC[C@H](C)I
InChIInChI=1S/C5H9I/c1-3-4-5(2)6/h3,5H,1,4H2,2H3/t5-/m0/s1
InChIKeyNOQPOCHZSMPMTN-YFKPBYRVSA-N
MW196.03 g/mol
LogP2.39
Rot. Bonds2

About (4S)-4-iodopent-1-ene

(4S)-4-iodopent-1-ene (PubChem CID 88562936) has the molecular formula C5H9I and a molecular weight of 196.03 g/mol. Its IUPAC name is (4S)-4-iodopent-1-ene.

Molecular Properties

Compound Name(4S)-4-iodopent-1-ene
PubChem CID88562936
Molecular FormulaC5H9I
Molecular Weight196.03 g/mol
Exact Mass195.97
IUPAC Name(4S)-4-iodopent-1-ene
SMILESC=CC[C@H](C)I
InChIInChI=1S/C5H9I/c1-3-4-5(2)6/h3,5H,1,4H2,2H3/t5-/m0/s1
InChIKeyNOQPOCHZSMPMTN-YFKPBYRVSA-N
XLogP2.39
TPSA0.00 Ų
H-Bond Donors
H-Bond Acceptors
Rotatable Bonds2
Heavy Atoms6
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500196.03
LogP ≤ 52.39
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'}

Analyze (4S)-4-iodopent-1-ene with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

4-iodopent-1-ene
CID 13244562
4-propan-2-ylhepta-1,6-diene
CID 14140894
N-pent-4-en-2-ylmethanimine
CID 123777591
(4S)-5-iodo-4-methylpent-1-ene
CID 101059144
potassium pent-4-en-2-olate
CID 143030421
azane;pent-4-en-2-ol
CID 22149561
but-1-ene;4-methylpent-1-ene
CID 23001909
(2R)-2-methylpent-4-enal;(2S)-2-methylpent-4-enal
CID 159356826
(4R)-5,5,5-trifluoro-4-methylpent-1-ene
CID 89023731
CID 174149816
CID 174149816
dimethyl(pent-4-en-2-yl)silane
CID 173322975
5-bromo-4-methylhex-1-ene
CID 78976582

Frequently Asked Questions

What is the IUPAC name of (4S)-4-iodopent-1-ene?
The IUPAC name of (4S)-4-iodopent-1-ene (CID 88562936) is (4S)-4-iodopent-1-ene.
What is the SMILES notation for (4S)-4-iodopent-1-ene?
The canonical SMILES for (4S)-4-iodopent-1-ene is C=CC[C@H](C)I.
What is the InChIKey of (4S)-4-iodopent-1-ene?
The InChIKey is NOQPOCHZSMPMTN-YFKPBYRVSA-N. The full InChI is InChI=1S/C5H9I/c1-3-4-5(2)6/h3,5H,1,4H2,2H3/t5-/m0/s1.
What are the key properties of (4S)-4-iodopent-1-ene?
(4S)-4-iodopent-1-ene has a molecular weight of 196.03 g/mol, XLogP of 2.39, 2 rotatable bonds, 0 hydrogen bond donors, and 0 hydrogen bond acceptors.
Where does this data come from?
All data for (4S)-4-iodopent-1-ene is sourced from PubChem (CID 88562936), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).