(1R,5S)-6-hydroxy-3,3-dimethyl-2,4-dioxabicyclo[3.1.0]hexane-6-carboxylic acid

C7H10O5 — CID 129321150

IUPAC(1R,5S)-6-hydroxy-3,3-dimethyl-2,4-dioxabicyclo[3.1.0]hexane-6-carboxylic acid
SMILESCC1(C)O[C@@H]2[C@H](O1)C2(O)C(=O)O
InChIInChI=1S/C7H10O5/c1-6(2)11-3-4(12-6)7(3,10)5(8)9/h3-4,10H,1-2H3,(H,8,9)/t3-,4+,7?
InChIKeyRCKAAFUTZPLZJG-WCYVFKIXSA-N
MW174.15 g/mol
LogP-0.66
Rot. Bonds1

About (1R,5S)-6-hydroxy-3,3-dimethyl-2,4-dioxabicyclo[3.1.0]hexane-6-carboxylic acid

(1R,5S)-6-hydroxy-3,3-dimethyl-2,4-dioxabicyclo[3.1.0]hexane-6-carboxylic acid (PubChem CID 129321150) has the molecular formula C7H10O5 and a molecular weight of 174.15 g/mol. Its IUPAC name is (1R,5S)-6-hydroxy-3,3-dimethyl-2,4-dioxabicyclo[3.1.0]hexane-6-carboxylic acid.

Molecular Properties

Compound Name(1R,5S)-6-hydroxy-3,3-dimethyl-2,4-dioxabicyclo[3.1.0]hexane-6-carboxylic acid
PubChem CID129321150
Molecular FormulaC7H10O5
Molecular Weight174.15 g/mol
Exact Mass174.05
IUPAC Name(1R,5S)-6-hydroxy-3,3-dimethyl-2,4-dioxabicyclo[3.1.0]hexane-6-carboxylic acid
SMILESCC1(C)O[C@@H]2[C@H](O1)C2(O)C(=O)O
InChIInChI=1S/C7H10O5/c1-6(2)11-3-4(12-6)7(3,10)5(8)9/h3-4,10H,1-2H3,(H,8,9)/t3-,4+,7?
InChIKeyRCKAAFUTZPLZJG-WCYVFKIXSA-N
XLogP-0.66
TPSA75.99 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds1
Heavy Atoms12
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500174.15
LogP ≤ 5-0.66
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of (1R,5S)-6-hydroxy-3,3-dimethyl-2,4-dioxabicyclo[3.1.0]hexane-6-carboxylic acid?
The IUPAC name of (1R,5S)-6-hydroxy-3,3-dimethyl-2,4-dioxabicyclo[3.1.0]hexane-6-carboxylic acid (CID 129321150) is (1R,5S)-6-hydroxy-3,3-dimethyl-2,4-dioxabicyclo[3.1.0]hexane-6-carboxylic acid.
What is the SMILES notation for (1R,5S)-6-hydroxy-3,3-dimethyl-2,4-dioxabicyclo[3.1.0]hexane-6-carboxylic acid?
The canonical SMILES for (1R,5S)-6-hydroxy-3,3-dimethyl-2,4-dioxabicyclo[3.1.0]hexane-6-carboxylic acid is CC1(C)O[C@@H]2[C@H](O1)C2(O)C(=O)O.
What is the InChIKey of (1R,5S)-6-hydroxy-3,3-dimethyl-2,4-dioxabicyclo[3.1.0]hexane-6-carboxylic acid?
The InChIKey is RCKAAFUTZPLZJG-WCYVFKIXSA-N. The full InChI is InChI=1S/C7H10O5/c1-6(2)11-3-4(12-6)7(3,10)5(8)9/h3-4,10H,1-2H3,(H,8,9)/t3-,4+,7?.
What are the key properties of (1R,5S)-6-hydroxy-3,3-dimethyl-2,4-dioxabicyclo[3.1.0]hexane-6-carboxylic acid?
(1R,5S)-6-hydroxy-3,3-dimethyl-2,4-dioxabicyclo[3.1.0]hexane-6-carboxylic acid has a molecular weight of 174.15 g/mol, XLogP of -0.66, 1 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for (1R,5S)-6-hydroxy-3,3-dimethyl-2,4-dioxabicyclo[3.1.0]hexane-6-carboxylic acid is sourced from PubChem (CID 129321150), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).