(5S)-1-methyl-8-oxabicyclo[3.2.1]oct-6-ene-2,4-dione

C8H8O3 — CID 143816398

IUPAC(5S)-1-methyl-8-oxabicyclo[3.2.1]oct-6-ene-2,4-dione
SMILESCC12C=C[C@H](O1)C(=O)CC2=O
InChIInChI=1S/C8H8O3/c1-8-3-2-6(11-8)5(9)4-7(8)10/h2-3,6H,4H2,1H3/t6-,8?/m0/s1
InChIKeyLHWFPNKSYCHSAH-UUEFVBAFSA-N
MW152.15 g/mol
LogP0.24
Rot. Bonds

About (5S)-1-methyl-8-oxabicyclo[3.2.1]oct-6-ene-2,4-dione

(5S)-1-methyl-8-oxabicyclo[3.2.1]oct-6-ene-2,4-dione (PubChem CID 143816398) has the molecular formula C8H8O3 and a molecular weight of 152.15 g/mol. Its IUPAC name is (5S)-1-methyl-8-oxabicyclo[3.2.1]oct-6-ene-2,4-dione.

Molecular Properties

Compound Name(5S)-1-methyl-8-oxabicyclo[3.2.1]oct-6-ene-2,4-dione
PubChem CID143816398
Molecular FormulaC8H8O3
Molecular Weight152.15 g/mol
Exact Mass152.05
IUPAC Name(5S)-1-methyl-8-oxabicyclo[3.2.1]oct-6-ene-2,4-dione
SMILESCC12C=C[C@H](O1)C(=O)CC2=O
InChIInChI=1S/C8H8O3/c1-8-3-2-6(11-8)5(9)4-7(8)10/h2-3,6H,4H2,1H3/t6-,8?/m0/s1
InChIKeyLHWFPNKSYCHSAH-UUEFVBAFSA-N
XLogP0.24
TPSA43.37 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds
Heavy Atoms11
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500152.15
LogP ≤ 50.24
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'beta-keto/anhydride', 'substructure': 'N/A'}, {'alert_name': 'isolated_alkene', 'substructure': 'N/A'}

Analyze (5S)-1-methyl-8-oxabicyclo[3.2.1]oct-6-ene-2,4-dione with MolForge

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Related Compounds

8-Oxabicyclo[3.2.1]oct-6-en-2-one
CID 66846074
1,5,7-Trimethyl-8-oxabicyclo[3.2.1]oct-6-en-2-one
CID 86018488
(1R,5R)-8-oxabicyclo[3.2.1]oct-6-en-2-one
CID 130764589
(1S,5R)-1-methyl-8-oxabicyclo[3.2.1]oct-6-en-3-one
CID 131139994
8-Oxabicyclo[3.2.1]oct-6-en-2-one, 1,4,4-trimethyl-
CID 557444
1-Methyl-8-oxabicyclo[3.2.1]oct-6-en-3-one
CID 13182314
Ixdyywwpvlgtiy-xhnckoqmsa-
CID 21575730
1-Ethenyl-8-oxabicyclo[3.2.1]oct-6-en-3-one
CID 100970496
1,5-Dimethyl-8-oxa-bicyclo[3.2.1]oct-6-ene-2,4-dione
CID 58609523
(1R,5R)-1-methyl-8-oxabicyclo[3.2.1]oct-6-ene-2,4-dione
CID 59445918
(1S,5R)-1-(ethoxymethyl)-8-oxabicyclo[3.2.1]oct-6-ene-2,4-dione
CID 59562559
8-Oxa-bicyclo[3.2.1]oct-6-ene-2,4-dione
CID 66602031

Frequently Asked Questions

What is the IUPAC name of (5S)-1-methyl-8-oxabicyclo[3.2.1]oct-6-ene-2,4-dione?
The IUPAC name of (5S)-1-methyl-8-oxabicyclo[3.2.1]oct-6-ene-2,4-dione (CID 143816398) is (5S)-1-methyl-8-oxabicyclo[3.2.1]oct-6-ene-2,4-dione.
What is the SMILES notation for (5S)-1-methyl-8-oxabicyclo[3.2.1]oct-6-ene-2,4-dione?
The canonical SMILES for (5S)-1-methyl-8-oxabicyclo[3.2.1]oct-6-ene-2,4-dione is CC12C=C[C@H](O1)C(=O)CC2=O.
What is the InChIKey of (5S)-1-methyl-8-oxabicyclo[3.2.1]oct-6-ene-2,4-dione?
The InChIKey is LHWFPNKSYCHSAH-UUEFVBAFSA-N. The full InChI is InChI=1S/C8H8O3/c1-8-3-2-6(11-8)5(9)4-7(8)10/h2-3,6H,4H2,1H3/t6-,8?/m0/s1.
What are the key properties of (5S)-1-methyl-8-oxabicyclo[3.2.1]oct-6-ene-2,4-dione?
(5S)-1-methyl-8-oxabicyclo[3.2.1]oct-6-ene-2,4-dione has a molecular weight of 152.15 g/mol, XLogP of 0.24, 0 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for (5S)-1-methyl-8-oxabicyclo[3.2.1]oct-6-ene-2,4-dione is sourced from PubChem (CID 143816398), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).