[(1R,5S,6S,9R,10S)-5-methoxy-6-(methoxymethyl)-10-methyl-2-methylidene-7-oxo-10-bicyclo[7.2.0]undecanyl]methyl acetate

C19H30O5 — CID 162924544

IUPAC[(1R,5S,6S,9R,10S)-5-methoxy-6-(methoxymethyl)-10-methyl-2-methylidene-7-oxo-10-bicyclo[7.2.0]undecanyl]methyl acetate
SMILESC=C1CC[C@H](OC)[C@H](COC)C(=O)C[C@@H]2[C@H]1C[C@]2(C)COC(C)=O
InChIInChI=1S/C19H30O5/c1-12-6-7-18(23-5)15(10-22-4)17(21)8-16-14(12)9-19(16,3)11-24-13(2)20/h14-16,18H,1,6-11H2,2-5H3/t14-,15+,16+,18-,19+/m0/s1
InChIKeyUQPLMKIOBOFXFD-AFQPOQBFSA-N
MW338.44 g/mol
LogP2.78
Rot. Bonds5

About [(1R,5S,6S,9R,10S)-5-methoxy-6-(methoxymethyl)-10-methyl-2-methylidene-7-oxo-10-bicyclo[7.2.0]undecanyl]methyl acetate

[(1R,5S,6S,9R,10S)-5-methoxy-6-(methoxymethyl)-10-methyl-2-methylidene-7-oxo-10-bicyclo[7.2.0]undecanyl]methyl acetate (PubChem CID 162924544) has the molecular formula C19H30O5 and a molecular weight of 338.44 g/mol. Its IUPAC name is [(1R,5S,6S,9R,10S)-5-methoxy-6-(methoxymethyl)-10-methyl-2-methylidene-7-oxo-10-bicyclo[7.2.0]undecanyl]methyl acetate.

Molecular Properties

Compound Name[(1R,5S,6S,9R,10S)-5-methoxy-6-(methoxymethyl)-10-methyl-2-methylidene-7-oxo-10-bicyclo[7.2.0]undecanyl]methyl acetate
PubChem CID162924544
Molecular FormulaC19H30O5
Molecular Weight338.44 g/mol
Exact Mass338.21
IUPAC Name[(1R,5S,6S,9R,10S)-5-methoxy-6-(methoxymethyl)-10-methyl-2-methylidene-7-oxo-10-bicyclo[7.2.0]undecanyl]methyl acetate
SMILESC=C1CC[C@H](OC)[C@H](COC)C(=O)C[C@@H]2[C@H]1C[C@]2(C)COC(C)=O
InChIInChI=1S/C19H30O5/c1-12-6-7-18(23-5)15(10-22-4)17(21)8-16-14(12)9-19(16,3)11-24-13(2)20/h14-16,18H,1,6-11H2,2-5H3/t14-,15+,16+,18-,19+/m0/s1
InChIKeyUQPLMKIOBOFXFD-AFQPOQBFSA-N
XLogP2.78
TPSA61.83 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500338.44
LogP ≤ 52.78
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

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

Analyze [(1R,5S,6S,9R,10S)-5-methoxy-6-(methoxymethyl)-10-methyl-2-methylidene-7-oxo-10-bicyclo[7.2.0]undecanyl]methyl acetate with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

Nanolobatin C
CID 11302505
Dihydrobuddledin A
CID 10588681
[(1S,5R,9R,10S)-5-methoxy-10-methyl-2,6-dimethylidene-7-oxo-10-bicyclo[7.2.0]undecanyl]methyl acetate
CID 15601253
[5-[(1R,6S,9S,10S)-6,10-dimethyl-2-methylidene-5-oxo-10-bicyclo[7.2.0]undecanyl]-2-methyl-5-oxopentan-2-yl] acetate
CID 25209927
[(1S,5S,9R,10S)-5-methoxy-10-methyl-2,6-dimethylidene-7-oxo-10-bicyclo[7.2.0]undecanyl]methyl acetate
CID 101630644
4-[(1R,2R)-3,3-dimethyl-2-(3-oxobutyl)cyclobutyl]pent-4-enyl acetate
CID 14682851
methyl 4-[(1S,2R)-3,3-dimethyl-2-(3-oxobutyl)cyclobutyl]pent-4-enoate
CID 15699320
(1R,4S,5S,9R,11S)-11-(hydroxymethyl)-5-methoxy-4-(methoxymethyl)-11-methyl-8-methylidenebicyclo[7.2.0]undecan-3-one
CID 162842631
[(2R)-5-[(1S,6R,9R,10R)-6,10-dimethyl-2-methylidene-5-oxo-10-bicyclo[7.2.0]undecanyl]-5-oxopentan-2-yl] acetate
CID 162853312
[(1R,5S,9R,10S)-5-methoxy-10-methyl-2,6-dimethylidene-7-oxo-10-bicyclo[7.2.0]undecanyl]methyl acetate
CID 162904296
[(1R,5R,9R,10S)-5-methoxy-10-methyl-2,6-dimethylidene-7-oxo-10-bicyclo[7.2.0]undecanyl]methyl acetate
CID 162904299
[(2R)-5-[(1S,4S,6S,10R,12S)-4,12-dimethyl-9-methylidene-5-oxatricyclo[8.2.0.04,6]dodecan-12-yl]-5-oxopentan-2-yl] acetate
CID 162918905

Frequently Asked Questions

What is the IUPAC name of [(1R,5S,6S,9R,10S)-5-methoxy-6-(methoxymethyl)-10-methyl-2-methylidene-7-oxo-10-bicyclo[7.2.0]undecanyl]methyl acetate?
The IUPAC name of [(1R,5S,6S,9R,10S)-5-methoxy-6-(methoxymethyl)-10-methyl-2-methylidene-7-oxo-10-bicyclo[7.2.0]undecanyl]methyl acetate (CID 162924544) is [(1R,5S,6S,9R,10S)-5-methoxy-6-(methoxymethyl)-10-methyl-2-methylidene-7-oxo-10-bicyclo[7.2.0]undecanyl]methyl acetate.
What is the SMILES notation for [(1R,5S,6S,9R,10S)-5-methoxy-6-(methoxymethyl)-10-methyl-2-methylidene-7-oxo-10-bicyclo[7.2.0]undecanyl]methyl acetate?
The canonical SMILES for [(1R,5S,6S,9R,10S)-5-methoxy-6-(methoxymethyl)-10-methyl-2-methylidene-7-oxo-10-bicyclo[7.2.0]undecanyl]methyl acetate is C=C1CC[C@H](OC)[C@H](COC)C(=O)C[C@@H]2[C@H]1C[C@]2(C)COC(C)=O.
What is the InChIKey of [(1R,5S,6S,9R,10S)-5-methoxy-6-(methoxymethyl)-10-methyl-2-methylidene-7-oxo-10-bicyclo[7.2.0]undecanyl]methyl acetate?
The InChIKey is UQPLMKIOBOFXFD-AFQPOQBFSA-N. The full InChI is InChI=1S/C19H30O5/c1-12-6-7-18(23-5)15(10-22-4)17(21)8-16-14(12)9-19(16,3)11-24-13(2)20/h14-16,18H,1,6-11H2,2-5H3/t14-,15+,16+,18-,19+/m0/s1.
What are the key properties of [(1R,5S,6S,9R,10S)-5-methoxy-6-(methoxymethyl)-10-methyl-2-methylidene-7-oxo-10-bicyclo[7.2.0]undecanyl]methyl acetate?
[(1R,5S,6S,9R,10S)-5-methoxy-6-(methoxymethyl)-10-methyl-2-methylidene-7-oxo-10-bicyclo[7.2.0]undecanyl]methyl acetate has a molecular weight of 338.44 g/mol, XLogP of 2.78, 5 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for [(1R,5S,6S,9R,10S)-5-methoxy-6-(methoxymethyl)-10-methyl-2-methylidene-7-oxo-10-bicyclo[7.2.0]undecanyl]methyl acetate is sourced from PubChem (CID 162924544), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).