bicyclo[3.1.0]hexane-1,2-dicarboxylic acid

C8H10O4 — CID 123996002

IUPACbicyclo[3.1.0]hexane-1,2-dicarboxylic acid
SMILESO=C(O)C1CCC2CC21C(=O)O
InChIInChI=1S/C8H10O4/c9-6(10)5-2-1-4-3-8(4,5)7(11)12/h4-5H,1-3H2,(H,9,10)(H,11,12)
InChIKeyBIDQBUBTNIWDGZ-UHFFFAOYSA-N
MW170.16 g/mol
LogP0.57
Rot. Bonds2

About bicyclo[3.1.0]hexane-1,2-dicarboxylic acid

bicyclo[3.1.0]hexane-1,2-dicarboxylic acid (PubChem CID 123996002) has the molecular formula C8H10O4 and a molecular weight of 170.16 g/mol. Its IUPAC name is bicyclo[3.1.0]hexane-1,2-dicarboxylic acid.

Molecular Properties

Compound Namebicyclo[3.1.0]hexane-1,2-dicarboxylic acid
PubChem CID123996002
Molecular FormulaC8H10O4
Molecular Weight170.16 g/mol
Exact Mass170.06
IUPAC Namebicyclo[3.1.0]hexane-1,2-dicarboxylic acid
SMILESO=C(O)C1CCC2CC21C(=O)O
InChIInChI=1S/C8H10O4/c9-6(10)5-2-1-4-3-8(4,5)7(11)12/h4-5H,1-3H2,(H,9,10)(H,11,12)
InChIKeyBIDQBUBTNIWDGZ-UHFFFAOYSA-N
XLogP0.57
TPSA74.60 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms12
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500170.16
LogP ≤ 50.57
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of bicyclo[3.1.0]hexane-1,2-dicarboxylic acid?
The IUPAC name of bicyclo[3.1.0]hexane-1,2-dicarboxylic acid (CID 123996002) is bicyclo[3.1.0]hexane-1,2-dicarboxylic acid.
What is the SMILES notation for bicyclo[3.1.0]hexane-1,2-dicarboxylic acid?
The canonical SMILES for bicyclo[3.1.0]hexane-1,2-dicarboxylic acid is O=C(O)C1CCC2CC21C(=O)O.
What is the InChIKey of bicyclo[3.1.0]hexane-1,2-dicarboxylic acid?
The InChIKey is BIDQBUBTNIWDGZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H10O4/c9-6(10)5-2-1-4-3-8(4,5)7(11)12/h4-5H,1-3H2,(H,9,10)(H,11,12).
What are the key properties of bicyclo[3.1.0]hexane-1,2-dicarboxylic acid?
bicyclo[3.1.0]hexane-1,2-dicarboxylic acid has a molecular weight of 170.16 g/mol, XLogP of 0.57, 2 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for bicyclo[3.1.0]hexane-1,2-dicarboxylic acid is sourced from PubChem (CID 123996002), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).