(1S,5S,7R)-1-hydroxy-7-methoxybicyclo[3.2.0]heptan-6-one

C8H12O3 — CID 178195285

IUPAC(1S,5S,7R)-1-hydroxy-7-methoxybicyclo[3.2.0]heptan-6-one
SMILESCO[C@H]1C(=O)[C@H]2CCC[C@]21O
InChIInChI=1S/C8H12O3/c1-11-7-6(9)5-3-2-4-8(5,7)10/h5,7,10H,2-4H2,1H3/t5-,7+,8+/m1/s1
InChIKeyAHFXJBCUPPWFER-DTLFHODZSA-N
MW156.18 g/mol
LogP0.12
Rot. Bonds1

About (1S,5S,7R)-1-hydroxy-7-methoxybicyclo[3.2.0]heptan-6-one

(1S,5S,7R)-1-hydroxy-7-methoxybicyclo[3.2.0]heptan-6-one (PubChem CID 178195285) has the molecular formula C8H12O3 and a molecular weight of 156.18 g/mol. Its IUPAC name is (1S,5S,7R)-1-hydroxy-7-methoxybicyclo[3.2.0]heptan-6-one.

Molecular Properties

Compound Name(1S,5S,7R)-1-hydroxy-7-methoxybicyclo[3.2.0]heptan-6-one
PubChem CID178195285
Molecular FormulaC8H12O3
Molecular Weight156.18 g/mol
Exact Mass156.08
IUPAC Name(1S,5S,7R)-1-hydroxy-7-methoxybicyclo[3.2.0]heptan-6-one
SMILESCO[C@H]1C(=O)[C@H]2CCC[C@]21O
InChIInChI=1S/C8H12O3/c1-11-7-6(9)5-3-2-4-8(5,7)10/h5,7,10H,2-4H2,1H3/t5-,7+,8+/m1/s1
InChIKeyAHFXJBCUPPWFER-DTLFHODZSA-N
XLogP0.12
TPSA46.53 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds1
Heavy Atoms11
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500156.18
LogP ≤ 50.12
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of (1S,5S,7R)-1-hydroxy-7-methoxybicyclo[3.2.0]heptan-6-one?
The IUPAC name of (1S,5S,7R)-1-hydroxy-7-methoxybicyclo[3.2.0]heptan-6-one (CID 178195285) is (1S,5S,7R)-1-hydroxy-7-methoxybicyclo[3.2.0]heptan-6-one.
What is the SMILES notation for (1S,5S,7R)-1-hydroxy-7-methoxybicyclo[3.2.0]heptan-6-one?
The canonical SMILES for (1S,5S,7R)-1-hydroxy-7-methoxybicyclo[3.2.0]heptan-6-one is CO[C@H]1C(=O)[C@H]2CCC[C@]21O.
What is the InChIKey of (1S,5S,7R)-1-hydroxy-7-methoxybicyclo[3.2.0]heptan-6-one?
The InChIKey is AHFXJBCUPPWFER-DTLFHODZSA-N. The full InChI is InChI=1S/C8H12O3/c1-11-7-6(9)5-3-2-4-8(5,7)10/h5,7,10H,2-4H2,1H3/t5-,7+,8+/m1/s1.
What are the key properties of (1S,5S,7R)-1-hydroxy-7-methoxybicyclo[3.2.0]heptan-6-one?
(1S,5S,7R)-1-hydroxy-7-methoxybicyclo[3.2.0]heptan-6-one has a molecular weight of 156.18 g/mol, XLogP of 0.12, 1 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for (1S,5S,7R)-1-hydroxy-7-methoxybicyclo[3.2.0]heptan-6-one is sourced from PubChem (CID 178195285), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).