(1S,8R)-6-methyl-3-oxatricyclo[6.2.1.01,5]undec-5-ene

C11H16O — CID 135057222

IUPAC(1S,8R)-6-methyl-3-oxatricyclo[6.2.1.01,5]undec-5-ene
SMILESCC1=C2COC[C@]23CC[C@H](C1)C3
InChIInChI=1S/C11H16O/c1-8-4-9-2-3-11(5-9)7-12-6-10(8)11/h9H,2-7H2,1H3/t9-,11-/m1/s1
InChIKeyKAVIKRZJXMULRG-MWLCHTKSSA-N
MW164.25 g/mol
LogP2.52
Rot. Bonds

About (1S,8R)-6-methyl-3-oxatricyclo[6.2.1.01,5]undec-5-ene

(1S,8R)-6-methyl-3-oxatricyclo[6.2.1.01,5]undec-5-ene (PubChem CID 135057222) has the molecular formula C11H16O and a molecular weight of 164.25 g/mol. Its IUPAC name is (1S,8R)-6-methyl-3-oxatricyclo[6.2.1.01,5]undec-5-ene.

Molecular Properties

Compound Name(1S,8R)-6-methyl-3-oxatricyclo[6.2.1.01,5]undec-5-ene
PubChem CID135057222
Molecular FormulaC11H16O
Molecular Weight164.25 g/mol
Exact Mass164.12
IUPAC Name(1S,8R)-6-methyl-3-oxatricyclo[6.2.1.01,5]undec-5-ene
SMILESCC1=C2COC[C@]23CC[C@H](C1)C3
InChIInChI=1S/C11H16O/c1-8-4-9-2-3-11(5-9)7-12-6-10(8)11/h9H,2-7H2,1H3/t9-,11-/m1/s1
InChIKeyKAVIKRZJXMULRG-MWLCHTKSSA-N
XLogP2.52
TPSA9.23 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds
Heavy Atoms12
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500164.25
LogP ≤ 52.52
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 101

Computed Properties (RDKit)

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

Analyze (1S,8R)-6-methyl-3-oxatricyclo[6.2.1.01,5]undec-5-ene 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

6-Methyl-3-oxatricyclo[5.2.2.01,5]undec-5-ene
CID 135057003
(1S,2S,3R,8R)-3-ethoxy-2,7-dimethyl-11-oxatricyclo[6.2.1.02,6]undec-6-ene
CID 14525451
3,3a,4,5,5a,6,7,8-octahydro-1H-cyclopenta[e][2]benzofuran
CID 54544394
4,6,6,7,8,8-Hexamethyl-1,3,4,4a,5,6a,7,9-octahydrocyclopenta[h]isochromene
CID 145827771
1,1,2-trimethyl-3a,4,5,5a,6,7,8,9-octahydro-2H-benzo[e][1]benzofuran
CID 154107789
3-Tert-butyl-4-(3-propan-2-ylcyclopentyl)-2,5-dihydrofuran
CID 156111793
(1R,2S,6R,7R)-1,4,4,8,9-pentamethyl-11-oxatricyclo[5.3.1.02,6]undec-8-ene
CID 10822839
(5aS,8aS,8bR)-4,7,7,8b-tetramethyl-3,5,5a,6,8,8a-hexahydro-1H-cyclopenta[e][2]benzofuran
CID 177866073

Frequently Asked Questions

What is the IUPAC name of (1S,8R)-6-methyl-3-oxatricyclo[6.2.1.01,5]undec-5-ene?
The IUPAC name of (1S,8R)-6-methyl-3-oxatricyclo[6.2.1.01,5]undec-5-ene (CID 135057222) is (1S,8R)-6-methyl-3-oxatricyclo[6.2.1.01,5]undec-5-ene.
What is the SMILES notation for (1S,8R)-6-methyl-3-oxatricyclo[6.2.1.01,5]undec-5-ene?
The canonical SMILES for (1S,8R)-6-methyl-3-oxatricyclo[6.2.1.01,5]undec-5-ene is CC1=C2COC[C@]23CC[C@H](C1)C3.
What is the InChIKey of (1S,8R)-6-methyl-3-oxatricyclo[6.2.1.01,5]undec-5-ene?
The InChIKey is KAVIKRZJXMULRG-MWLCHTKSSA-N. The full InChI is InChI=1S/C11H16O/c1-8-4-9-2-3-11(5-9)7-12-6-10(8)11/h9H,2-7H2,1H3/t9-,11-/m1/s1.
What are the key properties of (1S,8R)-6-methyl-3-oxatricyclo[6.2.1.01,5]undec-5-ene?
(1S,8R)-6-methyl-3-oxatricyclo[6.2.1.01,5]undec-5-ene has a molecular weight of 164.25 g/mol, XLogP of 2.52, 0 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for (1S,8R)-6-methyl-3-oxatricyclo[6.2.1.01,5]undec-5-ene is sourced from PubChem (CID 135057222), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).