(1R,5S,8R)-4-methoxy-8-methyltricyclo[3.3.3.01,5]undec-3-en-2-one

C13H18O2 — CID 14682393

IUPAC(1R,5S,8R)-4-methoxy-8-methyltricyclo[3.3.3.01,5]undec-3-en-2-one
SMILESCOC1=CC(=O)[C@@]23CCC[C@@]12CC[C@H]3C
InChIInChI=1S/C13H18O2/c1-9-4-7-12-5-3-6-13(9,12)10(14)8-11(12)15-2/h8-9H,3-7H2,1-2H3/t9-,12-,13+/m1/s1
InChIKeyNTPZMKNHNKHHPD-WQAKAFBOSA-N
MW206.28 g/mol
LogP2.69
Rot. Bonds1

About (1R,5S,8R)-4-methoxy-8-methyltricyclo[3.3.3.01,5]undec-3-en-2-one

(1R,5S,8R)-4-methoxy-8-methyltricyclo[3.3.3.01,5]undec-3-en-2-one (PubChem CID 14682393) has the molecular formula C13H18O2 and a molecular weight of 206.28 g/mol. Its IUPAC name is (1R,5S,8R)-4-methoxy-8-methyltricyclo[3.3.3.01,5]undec-3-en-2-one.

Molecular Properties

Compound Name(1R,5S,8R)-4-methoxy-8-methyltricyclo[3.3.3.01,5]undec-3-en-2-one
PubChem CID14682393
Molecular FormulaC13H18O2
Molecular Weight206.28 g/mol
Exact Mass206.13
IUPAC Name(1R,5S,8R)-4-methoxy-8-methyltricyclo[3.3.3.01,5]undec-3-en-2-one
SMILESCOC1=CC(=O)[C@@]23CCC[C@@]12CC[C@H]3C
InChIInChI=1S/C13H18O2/c1-9-4-7-12-5-3-6-13(9,12)10(14)8-11(12)15-2/h8-9H,3-7H2,1-2H3/t9-,12-,13+/m1/s1
InChIKeyNTPZMKNHNKHHPD-WQAKAFBOSA-N
XLogP2.69
TPSA26.30 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds1
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500206.28
LogP ≤ 52.69
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

Analyze (1R,5S,8R)-4-methoxy-8-methyltricyclo[3.3.3.01,5]undec-3-en-2-one 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

Flammulinol A
CID 101569461
4-Methoxy-5,8,8-trimethylbicyclo[3.2.1]oct-3-en-2-one
CID 86252818
methyl (3aS,3bR,5S,6aS)-3a,5-dimethyl-2-oxo-3,3b,4,6,6a,7-hexahydrocyclopenta[a]pentalene-5-carboxylate
CID 11265151
(3aR,6aR)-2-ethoxy-5,5-dimethyl-3a,4,6,6a-tetrahydropentalen-1-one
CID 101274662
(1R,6S,10S,14S)-5-methoxy-6,11,11,14-tetramethyltetracyclo[7.6.0.01,6.010,14]pentadec-4-en-3-one
CID 134955686
(1R,3R,8R,11S,12R)-9-methoxy-8,11-dimethyl-12-propan-2-yltetracyclo[6.6.0.01,11.03,7]tetradeca-6,9-dien-5-one
CID 138980040
(1R,6S,9R,10S,14S)-5-methoxy-6,11,11,14-tetramethyltetracyclo[7.6.0.01,6.010,14]pentadec-4-en-3-one
CID 162402346
9-Methoxy-1,2,6-trimethyltricyclo[5.3.1.02,6]undec-9-ene-8,11-dione
CID 162416553
5-(Hydroxymethyl)-1,3a,5-trimethyl-3b,4,6,6a,7,7a-hexahydrocyclopenta[a]pentalen-3-one
CID 76525506
(1R,6R)-4-methoxy-6,9,9-trimethylbicyclo[4.2.1]non-3-en-2-one
CID 10081797
(1R,6R)-5-methoxy-1,9,9-trimethylbicyclo[4.2.1]non-4-en-3-one
CID 10398151
(1R,6R)-4-methoxy-3,6,9,9-tetramethylbicyclo[4.2.1]non-3-en-2-one
CID 10466127

Frequently Asked Questions

What is the IUPAC name of (1R,5S,8R)-4-methoxy-8-methyltricyclo[3.3.3.01,5]undec-3-en-2-one?
The IUPAC name of (1R,5S,8R)-4-methoxy-8-methyltricyclo[3.3.3.01,5]undec-3-en-2-one (CID 14682393) is (1R,5S,8R)-4-methoxy-8-methyltricyclo[3.3.3.01,5]undec-3-en-2-one.
What is the SMILES notation for (1R,5S,8R)-4-methoxy-8-methyltricyclo[3.3.3.01,5]undec-3-en-2-one?
The canonical SMILES for (1R,5S,8R)-4-methoxy-8-methyltricyclo[3.3.3.01,5]undec-3-en-2-one is COC1=CC(=O)[C@@]23CCC[C@@]12CC[C@H]3C.
What is the InChIKey of (1R,5S,8R)-4-methoxy-8-methyltricyclo[3.3.3.01,5]undec-3-en-2-one?
The InChIKey is NTPZMKNHNKHHPD-WQAKAFBOSA-N. The full InChI is InChI=1S/C13H18O2/c1-9-4-7-12-5-3-6-13(9,12)10(14)8-11(12)15-2/h8-9H,3-7H2,1-2H3/t9-,12-,13+/m1/s1.
What are the key properties of (1R,5S,8R)-4-methoxy-8-methyltricyclo[3.3.3.01,5]undec-3-en-2-one?
(1R,5S,8R)-4-methoxy-8-methyltricyclo[3.3.3.01,5]undec-3-en-2-one has a molecular weight of 206.28 g/mol, XLogP of 2.69, 1 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for (1R,5S,8R)-4-methoxy-8-methyltricyclo[3.3.3.01,5]undec-3-en-2-one is sourced from PubChem (CID 14682393), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).