(1R,5S)-6-methyl-8-oxabicyclo[3.2.1]oct-6-en-3-one

C8H10O2 — CID 130898826

IUPAC(1R,5S)-6-methyl-8-oxabicyclo[3.2.1]oct-6-en-3-one
SMILESCC1=C[C@H]2CC(=O)C[C@@H]1O2
InChIInChI=1S/C8H10O2/c1-5-2-7-3-6(9)4-8(5)10-7/h2,7-8H,3-4H2,1H3/t7-,8-/m0/s1
InChIKeyNDRIVIMKZFSCTB-YUMQZZPRSA-N
MW138.17 g/mol
LogP1.06
Rot. Bonds

About (1R,5S)-6-methyl-8-oxabicyclo[3.2.1]oct-6-en-3-one

(1R,5S)-6-methyl-8-oxabicyclo[3.2.1]oct-6-en-3-one (PubChem CID 130898826) has the molecular formula C8H10O2 and a molecular weight of 138.17 g/mol. Its IUPAC name is (1R,5S)-6-methyl-8-oxabicyclo[3.2.1]oct-6-en-3-one.

Molecular Properties

Compound Name(1R,5S)-6-methyl-8-oxabicyclo[3.2.1]oct-6-en-3-one
PubChem CID130898826
Molecular FormulaC8H10O2
Molecular Weight138.17 g/mol
Exact Mass138.07
IUPAC Name(1R,5S)-6-methyl-8-oxabicyclo[3.2.1]oct-6-en-3-one
SMILESCC1=C[C@H]2CC(=O)C[C@@H]1O2
InChIInChI=1S/C8H10O2/c1-5-2-7-3-6(9)4-8(5)10-7/h2,7-8H,3-4H2,1H3/t7-,8-/m0/s1
InChIKeyNDRIVIMKZFSCTB-YUMQZZPRSA-N
XLogP1.06
TPSA26.30 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds
Heavy Atoms10
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500138.17
LogP ≤ 51.06
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

Analyze (1R,5S)-6-methyl-8-oxabicyclo[3.2.1]oct-6-en-3-one with MolForge

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Launch Full Analysis

Related Compounds

8-Oxabicyclo[3.2.1]oct-6-en-3-one
CID 557672
8-Oxabicyclo[3.2.1]oct-6-en-3-one, 2,4-dimethyl-
CID 557211
(1R,5S)-8-oxabicyclo[3.2.1]oct-6-en-3-one
CID 5325223
rel-(1R,2R,4S,5S)-2,4-Dimethyl-8-oxabicyclo(3.2.1)oct-6-en-3-one
CID 6915682
(1S,5R)-1-but-3-enyl-7-methyl-8-oxabicyclo[3.2.1]oct-6-en-3-one
CID 10750272
(1R,2S,4R,5S)-2,4-dimethyl-8-oxabicyclo[3.2.1]oct-6-en-3-one
CID 2755133
2-(Methoxymethyl)cyclohex-2-en-1-one
CID 13005778
9-Oxabicyclo[3.3.1]non-6-en-3-one
CID 557028
(1S,2S,4S,5R)-2,4-dimethyl-8-oxabicyclo[3.2.1]oct-6-en-3-one
CID 11094814
2-[(E)-dec-1-enyl]oxan-4-one
CID 11218643
(1R,2R,4R,5S)-2,4-dimethyl-8-oxabicyclo[3.2.1]oct-6-en-3-one
CID 12405308
4-(Methoxymethyl)cyclohept-4-en-1-one
CID 86205728

Frequently Asked Questions

What is the IUPAC name of (1R,5S)-6-methyl-8-oxabicyclo[3.2.1]oct-6-en-3-one?
The IUPAC name of (1R,5S)-6-methyl-8-oxabicyclo[3.2.1]oct-6-en-3-one (CID 130898826) is (1R,5S)-6-methyl-8-oxabicyclo[3.2.1]oct-6-en-3-one.
What is the SMILES notation for (1R,5S)-6-methyl-8-oxabicyclo[3.2.1]oct-6-en-3-one?
The canonical SMILES for (1R,5S)-6-methyl-8-oxabicyclo[3.2.1]oct-6-en-3-one is CC1=C[C@H]2CC(=O)C[C@@H]1O2.
What is the InChIKey of (1R,5S)-6-methyl-8-oxabicyclo[3.2.1]oct-6-en-3-one?
The InChIKey is NDRIVIMKZFSCTB-YUMQZZPRSA-N. The full InChI is InChI=1S/C8H10O2/c1-5-2-7-3-6(9)4-8(5)10-7/h2,7-8H,3-4H2,1H3/t7-,8-/m0/s1.
What are the key properties of (1R,5S)-6-methyl-8-oxabicyclo[3.2.1]oct-6-en-3-one?
(1R,5S)-6-methyl-8-oxabicyclo[3.2.1]oct-6-en-3-one has a molecular weight of 138.17 g/mol, XLogP of 1.06, 0 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for (1R,5S)-6-methyl-8-oxabicyclo[3.2.1]oct-6-en-3-one is sourced from PubChem (CID 130898826), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).