(1R,5S,7R,11R)-9-methoxy-11-(methoxymethoxy)-5,7-dimethyltricyclo[5.3.1.01,5]undec-8-en-10-one

C16H24O4 — CID 10967912

IUPAC(1R,5S,7R,11R)-9-methoxy-11-(methoxymethoxy)-5,7-dimethyltricyclo[5.3.1.01,5]undec-8-en-10-one
SMILESCOCO[C@@H]1[C@@]2(C)C=C(OC)C(=O)[C@@]13CCC[C@@]3(C)C2
InChIInChI=1S/C16H24O4/c1-14-8-11(19-4)12(17)16(13(14)20-10-18-3)7-5-6-15(16,2)9-14/h8,13H,5-7,9-10H2,1-4H3/t13-,14+,15+,16+/m1/s1
InChIKeyWZTZMZKBCCUQAI-UGUYLWEFSA-N
MW280.36 g/mol
LogP2.68
Rot. Bonds4

About (1R,5S,7R,11R)-9-methoxy-11-(methoxymethoxy)-5,7-dimethyltricyclo[5.3.1.01,5]undec-8-en-10-one

(1R,5S,7R,11R)-9-methoxy-11-(methoxymethoxy)-5,7-dimethyltricyclo[5.3.1.01,5]undec-8-en-10-one (PubChem CID 10967912) has the molecular formula C16H24O4 and a molecular weight of 280.36 g/mol. Its IUPAC name is (1R,5S,7R,11R)-9-methoxy-11-(methoxymethoxy)-5,7-dimethyltricyclo[5.3.1.01,5]undec-8-en-10-one.

Molecular Properties

Compound Name(1R,5S,7R,11R)-9-methoxy-11-(methoxymethoxy)-5,7-dimethyltricyclo[5.3.1.01,5]undec-8-en-10-one
PubChem CID10967912
Molecular FormulaC16H24O4
Molecular Weight280.36 g/mol
Exact Mass280.17
IUPAC Name(1R,5S,7R,11R)-9-methoxy-11-(methoxymethoxy)-5,7-dimethyltricyclo[5.3.1.01,5]undec-8-en-10-one
SMILESCOCO[C@@H]1[C@@]2(C)C=C(OC)C(=O)[C@@]13CCC[C@@]3(C)C2
InChIInChI=1S/C16H24O4/c1-14-8-11(19-4)12(17)16(13(14)20-10-18-3)7-5-6-15(16,2)9-14/h8,13H,5-7,9-10H2,1-4H3/t13-,14+,15+,16+/m1/s1
InChIKeyWZTZMZKBCCUQAI-UGUYLWEFSA-N
XLogP2.68
TPSA44.76 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500280.36
LogP ≤ 52.68
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'het-C-het_not_in_ring', 'substructure': 'N/A'}

Analyze (1R,5S,7R,11R)-9-methoxy-11-(methoxymethoxy)-5,7-dimethyltricyclo[5.3.1.01,5]undec-8-en-10-one with MolForge

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

Launch Full Analysis

Frequently Asked Questions

What is the IUPAC name of (1R,5S,7R,11R)-9-methoxy-11-(methoxymethoxy)-5,7-dimethyltricyclo[5.3.1.01,5]undec-8-en-10-one?
The IUPAC name of (1R,5S,7R,11R)-9-methoxy-11-(methoxymethoxy)-5,7-dimethyltricyclo[5.3.1.01,5]undec-8-en-10-one (CID 10967912) is (1R,5S,7R,11R)-9-methoxy-11-(methoxymethoxy)-5,7-dimethyltricyclo[5.3.1.01,5]undec-8-en-10-one.
What is the SMILES notation for (1R,5S,7R,11R)-9-methoxy-11-(methoxymethoxy)-5,7-dimethyltricyclo[5.3.1.01,5]undec-8-en-10-one?
The canonical SMILES for (1R,5S,7R,11R)-9-methoxy-11-(methoxymethoxy)-5,7-dimethyltricyclo[5.3.1.01,5]undec-8-en-10-one is COCO[C@@H]1[C@@]2(C)C=C(OC)C(=O)[C@@]13CCC[C@@]3(C)C2.
What is the InChIKey of (1R,5S,7R,11R)-9-methoxy-11-(methoxymethoxy)-5,7-dimethyltricyclo[5.3.1.01,5]undec-8-en-10-one?
The InChIKey is WZTZMZKBCCUQAI-UGUYLWEFSA-N. The full InChI is InChI=1S/C16H24O4/c1-14-8-11(19-4)12(17)16(13(14)20-10-18-3)7-5-6-15(16,2)9-14/h8,13H,5-7,9-10H2,1-4H3/t13-,14+,15+,16+/m1/s1.
What are the key properties of (1R,5S,7R,11R)-9-methoxy-11-(methoxymethoxy)-5,7-dimethyltricyclo[5.3.1.01,5]undec-8-en-10-one?
(1R,5S,7R,11R)-9-methoxy-11-(methoxymethoxy)-5,7-dimethyltricyclo[5.3.1.01,5]undec-8-en-10-one has a molecular weight of 280.36 g/mol, XLogP of 2.68, 4 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for (1R,5S,7R,11R)-9-methoxy-11-(methoxymethoxy)-5,7-dimethyltricyclo[5.3.1.01,5]undec-8-en-10-one is sourced from PubChem (CID 10967912), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).