(Z,4R)-6-iodo-3,5-dimethyl-4-[2-(2-methyl-1,3-dioxolan-2-yl)ethyl]hex-2-ene-1,5-diol

C14H25IO4 — CID 11003520

IUPAC(Z,4R)-6-iodo-3,5-dimethyl-4-[2-(2-methyl-1,3-dioxolan-2-yl)ethyl]hex-2-ene-1,5-diol
SMILESC/C(=C/CO)[C@@H](CCC1(C)OCCO1)C(C)(O)CI
InChIInChI=1S/C14H25IO4/c1-11(5-7-16)12(13(2,17)10-15)4-6-14(3)18-8-9-19-14/h5,12,16-17H,4,6-10H2,1-3H3/b11-5-/t12-,13?/m1/s1
InChIKeyWRLOQZDCXPPWEG-ZEPRWGSSSA-N
MW384.25 g/mol
LogP2.27
Rot. Bonds7

About (Z,4R)-6-iodo-3,5-dimethyl-4-[2-(2-methyl-1,3-dioxolan-2-yl)ethyl]hex-2-ene-1,5-diol

(Z,4R)-6-iodo-3,5-dimethyl-4-[2-(2-methyl-1,3-dioxolan-2-yl)ethyl]hex-2-ene-1,5-diol (PubChem CID 11003520) has the molecular formula C14H25IO4 and a molecular weight of 384.25 g/mol. Its IUPAC name is (Z,4R)-6-iodo-3,5-dimethyl-4-[2-(2-methyl-1,3-dioxolan-2-yl)ethyl]hex-2-ene-1,5-diol.

Molecular Properties

Compound Name(Z,4R)-6-iodo-3,5-dimethyl-4-[2-(2-methyl-1,3-dioxolan-2-yl)ethyl]hex-2-ene-1,5-diol
PubChem CID11003520
Molecular FormulaC14H25IO4
Molecular Weight384.25 g/mol
Exact Mass384.08
IUPAC Name(Z,4R)-6-iodo-3,5-dimethyl-4-[2-(2-methyl-1,3-dioxolan-2-yl)ethyl]hex-2-ene-1,5-diol
SMILESC/C(=C/CO)[C@@H](CCC1(C)OCCO1)C(C)(O)CI
InChIInChI=1S/C14H25IO4/c1-11(5-7-16)12(13(2,17)10-15)4-6-14(3)18-8-9-19-14/h5,12,16-17H,4,6-10H2,1-3H3/b11-5-/t12-,13?/m1/s1
InChIKeyWRLOQZDCXPPWEG-ZEPRWGSSSA-N
XLogP2.27
TPSA58.92 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds7
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500384.25
LogP ≤ 52.27
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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 (Z,4R)-6-iodo-3,5-dimethyl-4-[2-(2-methyl-1,3-dioxolan-2-yl)ethyl]hex-2-ene-1,5-diol 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 (Z,4R)-6-iodo-3,5-dimethyl-4-[2-(2-methyl-1,3-dioxolan-2-yl)ethyl]hex-2-ene-1,5-diol?
The IUPAC name of (Z,4R)-6-iodo-3,5-dimethyl-4-[2-(2-methyl-1,3-dioxolan-2-yl)ethyl]hex-2-ene-1,5-diol (CID 11003520) is (Z,4R)-6-iodo-3,5-dimethyl-4-[2-(2-methyl-1,3-dioxolan-2-yl)ethyl]hex-2-ene-1,5-diol.
What is the SMILES notation for (Z,4R)-6-iodo-3,5-dimethyl-4-[2-(2-methyl-1,3-dioxolan-2-yl)ethyl]hex-2-ene-1,5-diol?
The canonical SMILES for (Z,4R)-6-iodo-3,5-dimethyl-4-[2-(2-methyl-1,3-dioxolan-2-yl)ethyl]hex-2-ene-1,5-diol is C/C(=C/CO)[C@@H](CCC1(C)OCCO1)C(C)(O)CI.
What is the InChIKey of (Z,4R)-6-iodo-3,5-dimethyl-4-[2-(2-methyl-1,3-dioxolan-2-yl)ethyl]hex-2-ene-1,5-diol?
The InChIKey is WRLOQZDCXPPWEG-ZEPRWGSSSA-N. The full InChI is InChI=1S/C14H25IO4/c1-11(5-7-16)12(13(2,17)10-15)4-6-14(3)18-8-9-19-14/h5,12,16-17H,4,6-10H2,1-3H3/b11-5-/t12-,13?/m1/s1.
What are the key properties of (Z,4R)-6-iodo-3,5-dimethyl-4-[2-(2-methyl-1,3-dioxolan-2-yl)ethyl]hex-2-ene-1,5-diol?
(Z,4R)-6-iodo-3,5-dimethyl-4-[2-(2-methyl-1,3-dioxolan-2-yl)ethyl]hex-2-ene-1,5-diol has a molecular weight of 384.25 g/mol, XLogP of 2.27, 7 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for (Z,4R)-6-iodo-3,5-dimethyl-4-[2-(2-methyl-1,3-dioxolan-2-yl)ethyl]hex-2-ene-1,5-diol is sourced from PubChem (CID 11003520), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).