(1R,6R,7R)-2-oxabicyclo[4.1.0]heptane-7-carboxylic acid

C7H10O3 — CID 12666678

IUPAC(1R,6R,7R)-2-oxabicyclo[4.1.0]heptane-7-carboxylic acid
SMILESO=C(O)[C@@H]1[C@H]2CCCO[C@H]21
InChIInChI=1S/C7H10O3/c8-7(9)5-4-2-1-3-10-6(4)5/h4-6H,1-3H2,(H,8,9)/t4-,5-,6-/m1/s1
InChIKeyHSQSGWOCFUFUIH-HSUXUTPPSA-N
MW142.15 g/mol
LogP0.50
Rot. Bonds1

About (1R,6R,7R)-2-oxabicyclo[4.1.0]heptane-7-carboxylic acid

(1R,6R,7R)-2-oxabicyclo[4.1.0]heptane-7-carboxylic acid (PubChem CID 12666678) has the molecular formula C7H10O3 and a molecular weight of 142.15 g/mol. Its IUPAC name is (1R,6R,7R)-2-oxabicyclo[4.1.0]heptane-7-carboxylic acid.

Molecular Properties

Compound Name(1R,6R,7R)-2-oxabicyclo[4.1.0]heptane-7-carboxylic acid
PubChem CID12666678
Molecular FormulaC7H10O3
Molecular Weight142.15 g/mol
Exact Mass142.06
IUPAC Name(1R,6R,7R)-2-oxabicyclo[4.1.0]heptane-7-carboxylic acid
SMILESO=C(O)[C@@H]1[C@H]2CCCO[C@H]21
InChIInChI=1S/C7H10O3/c8-7(9)5-4-2-1-3-10-6(4)5/h4-6H,1-3H2,(H,8,9)/t4-,5-,6-/m1/s1
InChIKeyHSQSGWOCFUFUIH-HSUXUTPPSA-N
XLogP0.50
TPSA46.53 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds1
Heavy Atoms10
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500142.15
LogP ≤ 50.50
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of (1R,6R,7R)-2-oxabicyclo[4.1.0]heptane-7-carboxylic acid?
The IUPAC name of (1R,6R,7R)-2-oxabicyclo[4.1.0]heptane-7-carboxylic acid (CID 12666678) is (1R,6R,7R)-2-oxabicyclo[4.1.0]heptane-7-carboxylic acid.
What is the SMILES notation for (1R,6R,7R)-2-oxabicyclo[4.1.0]heptane-7-carboxylic acid?
The canonical SMILES for (1R,6R,7R)-2-oxabicyclo[4.1.0]heptane-7-carboxylic acid is O=C(O)[C@@H]1[C@H]2CCCO[C@H]21.
What is the InChIKey of (1R,6R,7R)-2-oxabicyclo[4.1.0]heptane-7-carboxylic acid?
The InChIKey is HSQSGWOCFUFUIH-HSUXUTPPSA-N. The full InChI is InChI=1S/C7H10O3/c8-7(9)5-4-2-1-3-10-6(4)5/h4-6H,1-3H2,(H,8,9)/t4-,5-,6-/m1/s1.
What are the key properties of (1R,6R,7R)-2-oxabicyclo[4.1.0]heptane-7-carboxylic acid?
(1R,6R,7R)-2-oxabicyclo[4.1.0]heptane-7-carboxylic acid has a molecular weight of 142.15 g/mol, XLogP of 0.50, 1 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for (1R,6R,7R)-2-oxabicyclo[4.1.0]heptane-7-carboxylic acid is sourced from PubChem (CID 12666678), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).