ethene;(2R,4S,5R)-4-(3-hydroxypropyl)-2-methyl-1,3-dioxan-5-ol

C10H20O4 — CID 145059775

IUPACethene;(2R,4S,5R)-4-(3-hydroxypropyl)-2-methyl-1,3-dioxan-5-ol
SMILESC=C.C[C@@H]1OC[C@@H](O)[C@H](CCCO)O1
InChIInChI=1S/C8H16O4.C2H4/c1-6-11-5-7(10)8(12-6)3-2-4-9;1-2/h6-10H,2-5H2,1H3;1-2H2/t6-,7-,8+;/m1./s1
InChIKeyZPJGQXDQDKSNIL-LRACWOHVSA-N
MW204.27 g/mol
LogP0.68
Rot. Bonds3

About ethene;(2R,4S,5R)-4-(3-hydroxypropyl)-2-methyl-1,3-dioxan-5-ol

ethene;(2R,4S,5R)-4-(3-hydroxypropyl)-2-methyl-1,3-dioxan-5-ol (PubChem CID 145059775) has the molecular formula C10H20O4 and a molecular weight of 204.27 g/mol. Its IUPAC name is ethene;(2R,4S,5R)-4-(3-hydroxypropyl)-2-methyl-1,3-dioxan-5-ol.

Molecular Properties

Compound Nameethene;(2R,4S,5R)-4-(3-hydroxypropyl)-2-methyl-1,3-dioxan-5-ol
PubChem CID145059775
Molecular FormulaC10H20O4
Molecular Weight204.27 g/mol
Exact Mass204.14
IUPAC Nameethene;(2R,4S,5R)-4-(3-hydroxypropyl)-2-methyl-1,3-dioxan-5-ol
SMILESC=C.C[C@@H]1OC[C@@H](O)[C@H](CCCO)O1
InChIInChI=1S/C8H16O4.C2H4/c1-6-11-5-7(10)8(12-6)3-2-4-9;1-2/h6-10H,2-5H2,1H3;1-2H2/t6-,7-,8+;/m1./s1
InChIKeyZPJGQXDQDKSNIL-LRACWOHVSA-N
XLogP0.68
TPSA58.92 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500204.27
LogP ≤ 50.68
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

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

Analyze ethene;(2R,4S,5R)-4-(3-hydroxypropyl)-2-methyl-1,3-dioxan-5-ol 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 ethene;(2R,4S,5R)-4-(3-hydroxypropyl)-2-methyl-1,3-dioxan-5-ol?
The IUPAC name of ethene;(2R,4S,5R)-4-(3-hydroxypropyl)-2-methyl-1,3-dioxan-5-ol (CID 145059775) is ethene;(2R,4S,5R)-4-(3-hydroxypropyl)-2-methyl-1,3-dioxan-5-ol.
What is the SMILES notation for ethene;(2R,4S,5R)-4-(3-hydroxypropyl)-2-methyl-1,3-dioxan-5-ol?
The canonical SMILES for ethene;(2R,4S,5R)-4-(3-hydroxypropyl)-2-methyl-1,3-dioxan-5-ol is C=C.C[C@@H]1OC[C@@H](O)[C@H](CCCO)O1.
What is the InChIKey of ethene;(2R,4S,5R)-4-(3-hydroxypropyl)-2-methyl-1,3-dioxan-5-ol?
The InChIKey is ZPJGQXDQDKSNIL-LRACWOHVSA-N. The full InChI is InChI=1S/C8H16O4.C2H4/c1-6-11-5-7(10)8(12-6)3-2-4-9;1-2/h6-10H,2-5H2,1H3;1-2H2/t6-,7-,8+;/m1./s1.
What are the key properties of ethene;(2R,4S,5R)-4-(3-hydroxypropyl)-2-methyl-1,3-dioxan-5-ol?
ethene;(2R,4S,5R)-4-(3-hydroxypropyl)-2-methyl-1,3-dioxan-5-ol has a molecular weight of 204.27 g/mol, XLogP of 0.68, 3 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for ethene;(2R,4S,5R)-4-(3-hydroxypropyl)-2-methyl-1,3-dioxan-5-ol is sourced from PubChem (CID 145059775), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).