(1R,2S,6S)-1,2-dimethylbicyclo[4.2.0]octan-7-one

C10H16O — CID 10898883

IUPAC(1R,2S,6S)-1,2-dimethylbicyclo[4.2.0]octan-7-one
SMILESC[C@H]1CCC[C@@H]2C(=O)C[C@@]21C
InChIInChI=1S/C10H16O/c1-7-4-3-5-8-9(11)6-10(7,8)2/h7-8H,3-6H2,1-2H3/t7-,8+,10+/m0/s1
InChIKeyQOVQJTWNZXYTBY-QXFUBDJGSA-N
MW152.24 g/mol
LogP2.40
Rot. Bonds

About (1R,2S,6S)-1,2-dimethylbicyclo[4.2.0]octan-7-one

(1R,2S,6S)-1,2-dimethylbicyclo[4.2.0]octan-7-one (PubChem CID 10898883) has the molecular formula C10H16O and a molecular weight of 152.24 g/mol. Its IUPAC name is (1R,2S,6S)-1,2-dimethylbicyclo[4.2.0]octan-7-one.

Molecular Properties

Compound Name(1R,2S,6S)-1,2-dimethylbicyclo[4.2.0]octan-7-one
PubChem CID10898883
Molecular FormulaC10H16O
Molecular Weight152.24 g/mol
Exact Mass152.12
IUPAC Name(1R,2S,6S)-1,2-dimethylbicyclo[4.2.0]octan-7-one
SMILESC[C@H]1CCC[C@@H]2C(=O)C[C@@]21C
InChIInChI=1S/C10H16O/c1-7-4-3-5-8-9(11)6-10(7,8)2/h7-8H,3-6H2,1-2H3/t7-,8+,10+/m0/s1
InChIKeyQOVQJTWNZXYTBY-QXFUBDJGSA-N
XLogP2.40
TPSA17.07 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds
Heavy Atoms11
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500152.24
LogP ≤ 52.40
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 101

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Frequently Asked Questions

What is the IUPAC name of (1R,2S,6S)-1,2-dimethylbicyclo[4.2.0]octan-7-one?
The IUPAC name of (1R,2S,6S)-1,2-dimethylbicyclo[4.2.0]octan-7-one (CID 10898883) is (1R,2S,6S)-1,2-dimethylbicyclo[4.2.0]octan-7-one.
What is the SMILES notation for (1R,2S,6S)-1,2-dimethylbicyclo[4.2.0]octan-7-one?
The canonical SMILES for (1R,2S,6S)-1,2-dimethylbicyclo[4.2.0]octan-7-one is C[C@H]1CCC[C@@H]2C(=O)C[C@@]21C.
What is the InChIKey of (1R,2S,6S)-1,2-dimethylbicyclo[4.2.0]octan-7-one?
The InChIKey is QOVQJTWNZXYTBY-QXFUBDJGSA-N. The full InChI is InChI=1S/C10H16O/c1-7-4-3-5-8-9(11)6-10(7,8)2/h7-8H,3-6H2,1-2H3/t7-,8+,10+/m0/s1.
What are the key properties of (1R,2S,6S)-1,2-dimethylbicyclo[4.2.0]octan-7-one?
(1R,2S,6S)-1,2-dimethylbicyclo[4.2.0]octan-7-one has a molecular weight of 152.24 g/mol, XLogP of 2.40, 0 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for (1R,2S,6S)-1,2-dimethylbicyclo[4.2.0]octan-7-one is sourced from PubChem (CID 10898883), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).