bicyclo[3.1.0]hexane;3-hydroxybutanoic acid

C10H18O3 — CID 18408223

IUPACbicyclo[3.1.0]hexane;3-hydroxybutanoic acid
SMILESC1CC2CC2C1.CC(O)CC(=O)O
InChIInChI=1S/C6H10.C4H8O3/c1-2-5-4-6(5)3-1;1-3(5)2-4(6)7/h5-6H,1-4H2;3,5H,2H2,1H3,(H,6,7)
InChIKeyZYUQYHYWQRRQSX-UHFFFAOYSA-N
MW186.25 g/mol
LogP1.65
Rot. Bonds2

About bicyclo[3.1.0]hexane;3-hydroxybutanoic acid

bicyclo[3.1.0]hexane;3-hydroxybutanoic acid (PubChem CID 18408223) has the molecular formula C10H18O3 and a molecular weight of 186.25 g/mol. Its IUPAC name is bicyclo[3.1.0]hexane;3-hydroxybutanoic acid.

Molecular Properties

Compound Namebicyclo[3.1.0]hexane;3-hydroxybutanoic acid
PubChem CID18408223
Molecular FormulaC10H18O3
Molecular Weight186.25 g/mol
Exact Mass186.13
IUPAC Namebicyclo[3.1.0]hexane;3-hydroxybutanoic acid
SMILESC1CC2CC2C1.CC(O)CC(=O)O
InChIInChI=1S/C6H10.C4H8O3/c1-2-5-4-6(5)3-1;1-3(5)2-4(6)7/h5-6H,1-4H2;3,5H,2H2,1H3,(H,6,7)
InChIKeyZYUQYHYWQRRQSX-UHFFFAOYSA-N
XLogP1.65
TPSA57.53 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500186.25
LogP ≤ 51.65
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;3-hydroxybutanoic acid?
The IUPAC name of bicyclo[3.1.0]hexane;3-hydroxybutanoic acid (CID 18408223) is bicyclo[3.1.0]hexane;3-hydroxybutanoic acid.
What is the SMILES notation for bicyclo[3.1.0]hexane;3-hydroxybutanoic acid?
The canonical SMILES for bicyclo[3.1.0]hexane;3-hydroxybutanoic acid is C1CC2CC2C1.CC(O)CC(=O)O.
What is the InChIKey of bicyclo[3.1.0]hexane;3-hydroxybutanoic acid?
The InChIKey is ZYUQYHYWQRRQSX-UHFFFAOYSA-N. The full InChI is InChI=1S/C6H10.C4H8O3/c1-2-5-4-6(5)3-1;1-3(5)2-4(6)7/h5-6H,1-4H2;3,5H,2H2,1H3,(H,6,7).
What are the key properties of bicyclo[3.1.0]hexane;3-hydroxybutanoic acid?
bicyclo[3.1.0]hexane;3-hydroxybutanoic acid has a molecular weight of 186.25 g/mol, XLogP of 1.65, 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;3-hydroxybutanoic acid is sourced from PubChem (CID 18408223), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).