2-[2-hydroxy-3-(1-methoxypropan-2-yloxy)propyl]-7-oxabicyclo[2.2.1]heptane-2-carboxylic acid

C14H24O6 — CID 106993107

IUPAC2-[2-hydroxy-3-(1-methoxypropan-2-yloxy)propyl]-7-oxabicyclo[2.2.1]heptane-2-carboxylic acid
SMILESCOCC(C)OCC(O)CC1(C(=O)O)CC2CCC1O2
InChIInChI=1S/C14H24O6/c1-9(7-18-2)19-8-10(15)5-14(13(16)17)6-11-3-4-12(14)20-11/h9-12,15H,3-8H2,1-2H3,(H,16,17)
InChIKeyOBTGPQMHGFGJOW-UHFFFAOYSA-N
MW288.34 g/mol
LogP0.81
Rot. Bonds8

About 2-[2-hydroxy-3-(1-methoxypropan-2-yloxy)propyl]-7-oxabicyclo[2.2.1]heptane-2-carboxylic acid

2-[2-hydroxy-3-(1-methoxypropan-2-yloxy)propyl]-7-oxabicyclo[2.2.1]heptane-2-carboxylic acid (PubChem CID 106993107) has the molecular formula C14H24O6 and a molecular weight of 288.34 g/mol. Its IUPAC name is 2-[2-hydroxy-3-(1-methoxypropan-2-yloxy)propyl]-7-oxabicyclo[2.2.1]heptane-2-carboxylic acid.

Molecular Properties

Compound Name2-[2-hydroxy-3-(1-methoxypropan-2-yloxy)propyl]-7-oxabicyclo[2.2.1]heptane-2-carboxylic acid
PubChem CID106993107
Molecular FormulaC14H24O6
Molecular Weight288.34 g/mol
Exact Mass288.16
IUPAC Name2-[2-hydroxy-3-(1-methoxypropan-2-yloxy)propyl]-7-oxabicyclo[2.2.1]heptane-2-carboxylic acid
SMILESCOCC(C)OCC(O)CC1(C(=O)O)CC2CCC1O2
InChIInChI=1S/C14H24O6/c1-9(7-18-2)19-8-10(15)5-14(13(16)17)6-11-3-4-12(14)20-11/h9-12,15H,3-8H2,1-2H3,(H,16,17)
InChIKeyOBTGPQMHGFGJOW-UHFFFAOYSA-N
XLogP0.81
TPSA85.22 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds8
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500288.34
LogP ≤ 50.81
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

Analyze 2-[2-hydroxy-3-(1-methoxypropan-2-yloxy)propyl]-7-oxabicyclo[2.2.1]heptane-2-carboxylic acid 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-[2-hydroxy-3-(1-methoxypropan-2-yloxy)propyl]-7-oxabicyclo[2.2.1]heptane-2-carboxylic acid?
The IUPAC name of 2-[2-hydroxy-3-(1-methoxypropan-2-yloxy)propyl]-7-oxabicyclo[2.2.1]heptane-2-carboxylic acid (CID 106993107) is 2-[2-hydroxy-3-(1-methoxypropan-2-yloxy)propyl]-7-oxabicyclo[2.2.1]heptane-2-carboxylic acid.
What is the SMILES notation for 2-[2-hydroxy-3-(1-methoxypropan-2-yloxy)propyl]-7-oxabicyclo[2.2.1]heptane-2-carboxylic acid?
The canonical SMILES for 2-[2-hydroxy-3-(1-methoxypropan-2-yloxy)propyl]-7-oxabicyclo[2.2.1]heptane-2-carboxylic acid is COCC(C)OCC(O)CC1(C(=O)O)CC2CCC1O2.
What is the InChIKey of 2-[2-hydroxy-3-(1-methoxypropan-2-yloxy)propyl]-7-oxabicyclo[2.2.1]heptane-2-carboxylic acid?
The InChIKey is OBTGPQMHGFGJOW-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H24O6/c1-9(7-18-2)19-8-10(15)5-14(13(16)17)6-11-3-4-12(14)20-11/h9-12,15H,3-8H2,1-2H3,(H,16,17).
What are the key properties of 2-[2-hydroxy-3-(1-methoxypropan-2-yloxy)propyl]-7-oxabicyclo[2.2.1]heptane-2-carboxylic acid?
2-[2-hydroxy-3-(1-methoxypropan-2-yloxy)propyl]-7-oxabicyclo[2.2.1]heptane-2-carboxylic acid has a molecular weight of 288.34 g/mol, XLogP of 0.81, 8 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[2-hydroxy-3-(1-methoxypropan-2-yloxy)propyl]-7-oxabicyclo[2.2.1]heptane-2-carboxylic acid is sourced from PubChem (CID 106993107), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).