2-[(3R)-4-iodo-3-methylpent-4-enoxy]oxane

C11H19IO2 — CID 25111728

IUPAC2-[(3R)-4-iodo-3-methylpent-4-enoxy]oxane
SMILESC=C(I)[C@H](C)CCOC1CCCCO1
InChIInChI=1S/C11H19IO2/c1-9(10(2)12)6-8-14-11-5-3-4-7-13-11/h9,11H,2-8H2,1H3/t9-,11?/m1/s1
InChIKeyNGIBNRGHUAVGPL-BFHBGLAWSA-N
MW310.18 g/mol
LogP3.50
Rot. Bonds5

About 2-[(3R)-4-iodo-3-methylpent-4-enoxy]oxane

2-[(3R)-4-iodo-3-methylpent-4-enoxy]oxane (PubChem CID 25111728) has the molecular formula C11H19IO2 and a molecular weight of 310.18 g/mol. Its IUPAC name is 2-[(3R)-4-iodo-3-methylpent-4-enoxy]oxane.

Molecular Properties

Compound Name2-[(3R)-4-iodo-3-methylpent-4-enoxy]oxane
PubChem CID25111728
Molecular FormulaC11H19IO2
Molecular Weight310.18 g/mol
Exact Mass310.04
IUPAC Name2-[(3R)-4-iodo-3-methylpent-4-enoxy]oxane
SMILESC=C(I)[C@H](C)CCOC1CCCCO1
InChIInChI=1S/C11H19IO2/c1-9(10(2)12)6-8-14-11-5-3-4-7-13-11/h9,11H,2-8H2,1H3/t9-,11?/m1/s1
InChIKeyNGIBNRGHUAVGPL-BFHBGLAWSA-N
XLogP3.50
TPSA18.46 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds5
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500310.18
LogP ≤ 53.50
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

Analyze 2-[(3R)-4-iodo-3-methylpent-4-enoxy]oxane with MolForge

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

Launch Full Analysis

Frequently Asked Questions

What is the IUPAC name of 2-[(3R)-4-iodo-3-methylpent-4-enoxy]oxane?
The IUPAC name of 2-[(3R)-4-iodo-3-methylpent-4-enoxy]oxane (CID 25111728) is 2-[(3R)-4-iodo-3-methylpent-4-enoxy]oxane.
What is the SMILES notation for 2-[(3R)-4-iodo-3-methylpent-4-enoxy]oxane?
The canonical SMILES for 2-[(3R)-4-iodo-3-methylpent-4-enoxy]oxane is C=C(I)[C@H](C)CCOC1CCCCO1.
What is the InChIKey of 2-[(3R)-4-iodo-3-methylpent-4-enoxy]oxane?
The InChIKey is NGIBNRGHUAVGPL-BFHBGLAWSA-N. The full InChI is InChI=1S/C11H19IO2/c1-9(10(2)12)6-8-14-11-5-3-4-7-13-11/h9,11H,2-8H2,1H3/t9-,11?/m1/s1.
What are the key properties of 2-[(3R)-4-iodo-3-methylpent-4-enoxy]oxane?
2-[(3R)-4-iodo-3-methylpent-4-enoxy]oxane has a molecular weight of 310.18 g/mol, XLogP of 3.50, 5 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[(3R)-4-iodo-3-methylpent-4-enoxy]oxane is sourced from PubChem (CID 25111728), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).