5-[(2R,3R)-2-(methoxymethyl)-3-methyloxiran-2-yl]pentan-1-ol

C10H20O3 — CID 10943235

IUPAC5-[(2R,3R)-2-(methoxymethyl)-3-methyloxiran-2-yl]pentan-1-ol
SMILESCOC[C@@]1(CCCCCO)O[C@@H]1C
InChIInChI=1S/C10H20O3/c1-9-10(13-9,8-12-2)6-4-3-5-7-11/h9,11H,3-8H2,1-2H3/t9-,10-/m1/s1
InChIKeyVZHANWAXXYBHPD-NXEZZACHSA-N
MW188.27 g/mol
LogP1.34
Rot. Bonds7

About 5-[(2R,3R)-2-(methoxymethyl)-3-methyloxiran-2-yl]pentan-1-ol

5-[(2R,3R)-2-(methoxymethyl)-3-methyloxiran-2-yl]pentan-1-ol (PubChem CID 10943235) has the molecular formula C10H20O3 and a molecular weight of 188.27 g/mol. Its IUPAC name is 5-[(2R,3R)-2-(methoxymethyl)-3-methyloxiran-2-yl]pentan-1-ol.

Molecular Properties

Compound Name5-[(2R,3R)-2-(methoxymethyl)-3-methyloxiran-2-yl]pentan-1-ol
PubChem CID10943235
Molecular FormulaC10H20O3
Molecular Weight188.27 g/mol
Exact Mass188.14
IUPAC Name5-[(2R,3R)-2-(methoxymethyl)-3-methyloxiran-2-yl]pentan-1-ol
SMILESCOC[C@@]1(CCCCCO)O[C@@H]1C
InChIInChI=1S/C10H20O3/c1-9-10(13-9,8-12-2)6-4-3-5-7-11/h9,11H,3-8H2,1-2H3/t9-,10-/m1/s1
InChIKeyVZHANWAXXYBHPD-NXEZZACHSA-N
XLogP1.34
TPSA41.99 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds7
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500188.27
LogP ≤ 51.34
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}, {'alert_name': 'Three-membered_heterocycle', 'substructure': 'N/A'}

Analyze 5-[(2R,3R)-2-(methoxymethyl)-3-methyloxiran-2-yl]pentan-1-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 5-[(2R,3R)-2-(methoxymethyl)-3-methyloxiran-2-yl]pentan-1-ol?
The IUPAC name of 5-[(2R,3R)-2-(methoxymethyl)-3-methyloxiran-2-yl]pentan-1-ol (CID 10943235) is 5-[(2R,3R)-2-(methoxymethyl)-3-methyloxiran-2-yl]pentan-1-ol.
What is the SMILES notation for 5-[(2R,3R)-2-(methoxymethyl)-3-methyloxiran-2-yl]pentan-1-ol?
The canonical SMILES for 5-[(2R,3R)-2-(methoxymethyl)-3-methyloxiran-2-yl]pentan-1-ol is COC[C@@]1(CCCCCO)O[C@@H]1C.
What is the InChIKey of 5-[(2R,3R)-2-(methoxymethyl)-3-methyloxiran-2-yl]pentan-1-ol?
The InChIKey is VZHANWAXXYBHPD-NXEZZACHSA-N. The full InChI is InChI=1S/C10H20O3/c1-9-10(13-9,8-12-2)6-4-3-5-7-11/h9,11H,3-8H2,1-2H3/t9-,10-/m1/s1.
What are the key properties of 5-[(2R,3R)-2-(methoxymethyl)-3-methyloxiran-2-yl]pentan-1-ol?
5-[(2R,3R)-2-(methoxymethyl)-3-methyloxiran-2-yl]pentan-1-ol has a molecular weight of 188.27 g/mol, XLogP of 1.34, 7 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 5-[(2R,3R)-2-(methoxymethyl)-3-methyloxiran-2-yl]pentan-1-ol is sourced from PubChem (CID 10943235), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).