methyl (1R,2R,4S,6S,7S,10R,11S)-10,11-dihydroxy-1,4-dimethyltricyclo[5.2.2.02,6]undec-8-ene-4-carboxylate

C15H22O4 — CID 11977176

IUPACmethyl (1R,2R,4S,6S,7S,10R,11S)-10,11-dihydroxy-1,4-dimethyltricyclo[5.2.2.02,6]undec-8-ene-4-carboxylate
SMILESCOC(=O)[C@@]1(C)C[C@@H]2[C@@H]3C=C[C@](C)([C@@H]2C1)[C@@H](O)[C@H]3O
InChIInChI=1S/C15H22O4/c1-14(13(18)19-3)6-9-8-4-5-15(2,10(9)7-14)12(17)11(8)16/h4-5,8-12,16-17H,6-7H2,1-3H3/t8-,9+,10+,11-,12-,14-,15+/m0/s1
InChIKeyBMFCXSRBEYIIMS-IRKGCBOHSA-N
MW266.34 g/mol
LogP1.12
Rot. Bonds1

About methyl (1R,2R,4S,6S,7S,10R,11S)-10,11-dihydroxy-1,4-dimethyltricyclo[5.2.2.02,6]undec-8-ene-4-carboxylate

methyl (1R,2R,4S,6S,7S,10R,11S)-10,11-dihydroxy-1,4-dimethyltricyclo[5.2.2.02,6]undec-8-ene-4-carboxylate (PubChem CID 11977176) has the molecular formula C15H22O4 and a molecular weight of 266.34 g/mol. Its IUPAC name is methyl (1R,2R,4S,6S,7S,10R,11S)-10,11-dihydroxy-1,4-dimethyltricyclo[5.2.2.02,6]undec-8-ene-4-carboxylate.

Molecular Properties

Compound Namemethyl (1R,2R,4S,6S,7S,10R,11S)-10,11-dihydroxy-1,4-dimethyltricyclo[5.2.2.02,6]undec-8-ene-4-carboxylate
PubChem CID11977176
Molecular FormulaC15H22O4
Molecular Weight266.34 g/mol
Exact Mass266.15
IUPAC Namemethyl (1R,2R,4S,6S,7S,10R,11S)-10,11-dihydroxy-1,4-dimethyltricyclo[5.2.2.02,6]undec-8-ene-4-carboxylate
SMILESCOC(=O)[C@@]1(C)C[C@@H]2[C@@H]3C=C[C@](C)([C@@H]2C1)[C@@H](O)[C@H]3O
InChIInChI=1S/C15H22O4/c1-14(13(18)19-3)6-9-8-4-5-15(2,10(9)7-14)12(17)11(8)16/h4-5,8-12,16-17H,6-7H2,1-3H3/t8-,9+,10+,11-,12-,14-,15+/m0/s1
InChIKeyBMFCXSRBEYIIMS-IRKGCBOHSA-N
XLogP1.12
TPSA66.76 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds1
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500266.34
LogP ≤ 51.12
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

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

Analyze methyl (1R,2R,4S,6S,7S,10R,11S)-10,11-dihydroxy-1,4-dimethyltricyclo[5.2.2.02,6]undec-8-ene-4-carboxylate 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 methyl (1R,2R,4S,6S,7S,10R,11S)-10,11-dihydroxy-1,4-dimethyltricyclo[5.2.2.02,6]undec-8-ene-4-carboxylate?
The IUPAC name of methyl (1R,2R,4S,6S,7S,10R,11S)-10,11-dihydroxy-1,4-dimethyltricyclo[5.2.2.02,6]undec-8-ene-4-carboxylate (CID 11977176) is methyl (1R,2R,4S,6S,7S,10R,11S)-10,11-dihydroxy-1,4-dimethyltricyclo[5.2.2.02,6]undec-8-ene-4-carboxylate.
What is the SMILES notation for methyl (1R,2R,4S,6S,7S,10R,11S)-10,11-dihydroxy-1,4-dimethyltricyclo[5.2.2.02,6]undec-8-ene-4-carboxylate?
The canonical SMILES for methyl (1R,2R,4S,6S,7S,10R,11S)-10,11-dihydroxy-1,4-dimethyltricyclo[5.2.2.02,6]undec-8-ene-4-carboxylate is COC(=O)[C@@]1(C)C[C@@H]2[C@@H]3C=C[C@](C)([C@@H]2C1)[C@@H](O)[C@H]3O.
What is the InChIKey of methyl (1R,2R,4S,6S,7S,10R,11S)-10,11-dihydroxy-1,4-dimethyltricyclo[5.2.2.02,6]undec-8-ene-4-carboxylate?
The InChIKey is BMFCXSRBEYIIMS-IRKGCBOHSA-N. The full InChI is InChI=1S/C15H22O4/c1-14(13(18)19-3)6-9-8-4-5-15(2,10(9)7-14)12(17)11(8)16/h4-5,8-12,16-17H,6-7H2,1-3H3/t8-,9+,10+,11-,12-,14-,15+/m0/s1.
What are the key properties of methyl (1R,2R,4S,6S,7S,10R,11S)-10,11-dihydroxy-1,4-dimethyltricyclo[5.2.2.02,6]undec-8-ene-4-carboxylate?
methyl (1R,2R,4S,6S,7S,10R,11S)-10,11-dihydroxy-1,4-dimethyltricyclo[5.2.2.02,6]undec-8-ene-4-carboxylate has a molecular weight of 266.34 g/mol, XLogP of 1.12, 1 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for methyl (1R,2R,4S,6S,7S,10R,11S)-10,11-dihydroxy-1,4-dimethyltricyclo[5.2.2.02,6]undec-8-ene-4-carboxylate is sourced from PubChem (CID 11977176), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).