2-(2-hydroxy-3-propan-2-yloxypropyl)bicyclo[2.2.1]heptane-2-carboxylic acid

C14H24O4 — CID 79425674

IUPAC2-(2-hydroxy-3-propan-2-yloxypropyl)bicyclo[2.2.1]heptane-2-carboxylic acid
SMILESCC(C)OCC(O)CC1(C(=O)O)CC2CCC1C2
InChIInChI=1S/C14H24O4/c1-9(2)18-8-12(15)7-14(13(16)17)6-10-3-4-11(14)5-10/h9-12,15H,3-8H2,1-2H3,(H,16,17)
InChIKeyXAWPRHRNQCESMJ-UHFFFAOYSA-N
MW256.34 g/mol
LogP2.05
Rot. Bonds6

About 2-(2-hydroxy-3-propan-2-yloxypropyl)bicyclo[2.2.1]heptane-2-carboxylic acid

2-(2-hydroxy-3-propan-2-yloxypropyl)bicyclo[2.2.1]heptane-2-carboxylic acid (PubChem CID 79425674) has the molecular formula C14H24O4 and a molecular weight of 256.34 g/mol. Its IUPAC name is 2-(2-hydroxy-3-propan-2-yloxypropyl)bicyclo[2.2.1]heptane-2-carboxylic acid.

Molecular Properties

Compound Name2-(2-hydroxy-3-propan-2-yloxypropyl)bicyclo[2.2.1]heptane-2-carboxylic acid
PubChem CID79425674
Molecular FormulaC14H24O4
Molecular Weight256.34 g/mol
Exact Mass256.17
IUPAC Name2-(2-hydroxy-3-propan-2-yloxypropyl)bicyclo[2.2.1]heptane-2-carboxylic acid
SMILESCC(C)OCC(O)CC1(C(=O)O)CC2CCC1C2
InChIInChI=1S/C14H24O4/c1-9(2)18-8-12(15)7-14(13(16)17)6-10-3-4-11(14)5-10/h9-12,15H,3-8H2,1-2H3,(H,16,17)
InChIKeyXAWPRHRNQCESMJ-UHFFFAOYSA-N
XLogP2.05
TPSA66.76 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500256.34
LogP ≤ 52.05
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 2-(2-hydroxy-3-propan-2-yloxypropyl)bicyclo[2.2.1]heptane-2-carboxylic acid?
The IUPAC name of 2-(2-hydroxy-3-propan-2-yloxypropyl)bicyclo[2.2.1]heptane-2-carboxylic acid (CID 79425674) is 2-(2-hydroxy-3-propan-2-yloxypropyl)bicyclo[2.2.1]heptane-2-carboxylic acid.
What is the SMILES notation for 2-(2-hydroxy-3-propan-2-yloxypropyl)bicyclo[2.2.1]heptane-2-carboxylic acid?
The canonical SMILES for 2-(2-hydroxy-3-propan-2-yloxypropyl)bicyclo[2.2.1]heptane-2-carboxylic acid is CC(C)OCC(O)CC1(C(=O)O)CC2CCC1C2.
What is the InChIKey of 2-(2-hydroxy-3-propan-2-yloxypropyl)bicyclo[2.2.1]heptane-2-carboxylic acid?
The InChIKey is XAWPRHRNQCESMJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H24O4/c1-9(2)18-8-12(15)7-14(13(16)17)6-10-3-4-11(14)5-10/h9-12,15H,3-8H2,1-2H3,(H,16,17).
What are the key properties of 2-(2-hydroxy-3-propan-2-yloxypropyl)bicyclo[2.2.1]heptane-2-carboxylic acid?
2-(2-hydroxy-3-propan-2-yloxypropyl)bicyclo[2.2.1]heptane-2-carboxylic acid has a molecular weight of 256.34 g/mol, XLogP of 2.05, 6 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(2-hydroxy-3-propan-2-yloxypropyl)bicyclo[2.2.1]heptane-2-carboxylic acid is sourced from PubChem (CID 79425674), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).