propan-2-yl 2-(6-hydroxyoxan-2-yl)acetate

C10H18O4 — CID 134998176

IUPACpropan-2-yl 2-(6-hydroxyoxan-2-yl)acetate
SMILESCC(C)OC(=O)CC1CCCC(O)O1
InChIInChI=1S/C10H18O4/c1-7(2)13-10(12)6-8-4-3-5-9(11)14-8/h7-9,11H,3-6H2,1-2H3
InChIKeyZDEZMSZESWQTDH-UHFFFAOYSA-N
MW202.25 g/mol
LogP1.22
Rot. Bonds3

About propan-2-yl 2-(6-hydroxyoxan-2-yl)acetate

propan-2-yl 2-(6-hydroxyoxan-2-yl)acetate (PubChem CID 134998176) has the molecular formula C10H18O4 and a molecular weight of 202.25 g/mol. Its IUPAC name is propan-2-yl 2-(6-hydroxyoxan-2-yl)acetate.

Molecular Properties

Compound Namepropan-2-yl 2-(6-hydroxyoxan-2-yl)acetate
PubChem CID134998176
Molecular FormulaC10H18O4
Molecular Weight202.25 g/mol
Exact Mass202.12
IUPAC Namepropan-2-yl 2-(6-hydroxyoxan-2-yl)acetate
SMILESCC(C)OC(=O)CC1CCCC(O)O1
InChIInChI=1S/C10H18O4/c1-7(2)13-10(12)6-8-4-3-5-9(11)14-8/h7-9,11H,3-6H2,1-2H3
InChIKeyZDEZMSZESWQTDH-UHFFFAOYSA-N
XLogP1.22
TPSA55.76 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500202.25
LogP ≤ 51.22
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Analyze propan-2-yl 2-(6-hydroxyoxan-2-yl)acetate 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 propan-2-yl 2-(6-hydroxyoxan-2-yl)acetate?
The IUPAC name of propan-2-yl 2-(6-hydroxyoxan-2-yl)acetate (CID 134998176) is propan-2-yl 2-(6-hydroxyoxan-2-yl)acetate.
What is the SMILES notation for propan-2-yl 2-(6-hydroxyoxan-2-yl)acetate?
The canonical SMILES for propan-2-yl 2-(6-hydroxyoxan-2-yl)acetate is CC(C)OC(=O)CC1CCCC(O)O1.
What is the InChIKey of propan-2-yl 2-(6-hydroxyoxan-2-yl)acetate?
The InChIKey is ZDEZMSZESWQTDH-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H18O4/c1-7(2)13-10(12)6-8-4-3-5-9(11)14-8/h7-9,11H,3-6H2,1-2H3.
What are the key properties of propan-2-yl 2-(6-hydroxyoxan-2-yl)acetate?
propan-2-yl 2-(6-hydroxyoxan-2-yl)acetate has a molecular weight of 202.25 g/mol, XLogP of 1.22, 3 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for propan-2-yl 2-(6-hydroxyoxan-2-yl)acetate is sourced from PubChem (CID 134998176), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).