(1R,5R,6R,8S)-8-methoxy-2-methyl-5-propan-2-ylbicyclo[4.2.0]oct-2-en-7-one

C13H20O2 — CID 11469848

IUPAC(1R,5R,6R,8S)-8-methoxy-2-methyl-5-propan-2-ylbicyclo[4.2.0]oct-2-en-7-one
SMILESCO[C@@H]1C(=O)[C@H]2[C@@H]1C(C)=CC[C@@H]2C(C)C
InChIInChI=1S/C13H20O2/c1-7(2)9-6-5-8(3)10-11(9)12(14)13(10)15-4/h5,7,9-11,13H,6H2,1-4H3/t9-,10+,11-,13+/m1/s1
InChIKeyGOWAFHKHNQJCPK-XZUYRWCXSA-N
MW208.30 g/mol
LogP2.44
Rot. Bonds2

About (1R,5R,6R,8S)-8-methoxy-2-methyl-5-propan-2-ylbicyclo[4.2.0]oct-2-en-7-one

(1R,5R,6R,8S)-8-methoxy-2-methyl-5-propan-2-ylbicyclo[4.2.0]oct-2-en-7-one (PubChem CID 11469848) has the molecular formula C13H20O2 and a molecular weight of 208.30 g/mol. Its IUPAC name is (1R,5R,6R,8S)-8-methoxy-2-methyl-5-propan-2-ylbicyclo[4.2.0]oct-2-en-7-one.

Molecular Properties

Compound Name(1R,5R,6R,8S)-8-methoxy-2-methyl-5-propan-2-ylbicyclo[4.2.0]oct-2-en-7-one
PubChem CID11469848
Molecular FormulaC13H20O2
Molecular Weight208.30 g/mol
Exact Mass208.15
IUPAC Name(1R,5R,6R,8S)-8-methoxy-2-methyl-5-propan-2-ylbicyclo[4.2.0]oct-2-en-7-one
SMILESCO[C@@H]1C(=O)[C@H]2[C@@H]1C(C)=CC[C@@H]2C(C)C
InChIInChI=1S/C13H20O2/c1-7(2)9-6-5-8(3)10-11(9)12(14)13(10)15-4/h5,7,9-11,13H,6H2,1-4H3/t9-,10+,11-,13+/m1/s1
InChIKeyGOWAFHKHNQJCPK-XZUYRWCXSA-N
XLogP2.44
TPSA26.30 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500208.30
LogP ≤ 52.44
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'isolated_alkene', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of (1R,5R,6R,8S)-8-methoxy-2-methyl-5-propan-2-ylbicyclo[4.2.0]oct-2-en-7-one?
The IUPAC name of (1R,5R,6R,8S)-8-methoxy-2-methyl-5-propan-2-ylbicyclo[4.2.0]oct-2-en-7-one (CID 11469848) is (1R,5R,6R,8S)-8-methoxy-2-methyl-5-propan-2-ylbicyclo[4.2.0]oct-2-en-7-one.
What is the SMILES notation for (1R,5R,6R,8S)-8-methoxy-2-methyl-5-propan-2-ylbicyclo[4.2.0]oct-2-en-7-one?
The canonical SMILES for (1R,5R,6R,8S)-8-methoxy-2-methyl-5-propan-2-ylbicyclo[4.2.0]oct-2-en-7-one is CO[C@@H]1C(=O)[C@H]2[C@@H]1C(C)=CC[C@@H]2C(C)C.
What is the InChIKey of (1R,5R,6R,8S)-8-methoxy-2-methyl-5-propan-2-ylbicyclo[4.2.0]oct-2-en-7-one?
The InChIKey is GOWAFHKHNQJCPK-XZUYRWCXSA-N. The full InChI is InChI=1S/C13H20O2/c1-7(2)9-6-5-8(3)10-11(9)12(14)13(10)15-4/h5,7,9-11,13H,6H2,1-4H3/t9-,10+,11-,13+/m1/s1.
What are the key properties of (1R,5R,6R,8S)-8-methoxy-2-methyl-5-propan-2-ylbicyclo[4.2.0]oct-2-en-7-one?
(1R,5R,6R,8S)-8-methoxy-2-methyl-5-propan-2-ylbicyclo[4.2.0]oct-2-en-7-one has a molecular weight of 208.30 g/mol, XLogP of 2.44, 2 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for (1R,5R,6R,8S)-8-methoxy-2-methyl-5-propan-2-ylbicyclo[4.2.0]oct-2-en-7-one is sourced from PubChem (CID 11469848), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).