(1S,8R,13R)-1,5,10-trimethyl-7-oxatricyclo[6.4.1.04,13]trideca-4,9-dien-6-one

C15H20O2 — CID 163014275

IUPAC(1S,8R,13R)-1,5,10-trimethyl-7-oxatricyclo[6.4.1.04,13]trideca-4,9-dien-6-one
SMILESCC1=C[C@H]2OC(=O)C(C)=C3CC[C@](C)(CC1)[C@H]32
InChIInChI=1S/C15H20O2/c1-9-4-6-15(3)7-5-11-10(2)14(16)17-12(8-9)13(11)15/h8,12-13H,4-7H2,1-3H3/t12-,13-,15+/m1/s1
InChIKeyDGKFETRFKMWAAU-NFAWXSAZSA-N
MW232.32 g/mol
LogP3.38
Rot. Bonds

About (1S,8R,13R)-1,5,10-trimethyl-7-oxatricyclo[6.4.1.04,13]trideca-4,9-dien-6-one

(1S,8R,13R)-1,5,10-trimethyl-7-oxatricyclo[6.4.1.04,13]trideca-4,9-dien-6-one (PubChem CID 163014275) has the molecular formula C15H20O2 and a molecular weight of 232.32 g/mol. Its IUPAC name is (1S,8R,13R)-1,5,10-trimethyl-7-oxatricyclo[6.4.1.04,13]trideca-4,9-dien-6-one.

Molecular Properties

Compound Name(1S,8R,13R)-1,5,10-trimethyl-7-oxatricyclo[6.4.1.04,13]trideca-4,9-dien-6-one
PubChem CID163014275
Molecular FormulaC15H20O2
Molecular Weight232.32 g/mol
Exact Mass232.15
IUPAC Name(1S,8R,13R)-1,5,10-trimethyl-7-oxatricyclo[6.4.1.04,13]trideca-4,9-dien-6-one
SMILESCC1=C[C@H]2OC(=O)C(C)=C3CC[C@](C)(CC1)[C@H]32
InChIInChI=1S/C15H20O2/c1-9-4-6-15(3)7-5-11-10(2)14(16)17-12(8-9)13(11)15/h8,12-13H,4-7H2,1-3H3/t12-,13-,15+/m1/s1
InChIKeyDGKFETRFKMWAAU-NFAWXSAZSA-N
XLogP3.38
TPSA26.30 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500232.32
LogP ≤ 53.38
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

Analyze (1S,8R,13R)-1,5,10-trimethyl-7-oxatricyclo[6.4.1.04,13]trideca-4,9-dien-6-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

Vetivert acetate
CID 8347
Clavirolide B
CID 23426977
Clavirolide D
CID 23426979
Clavulactone
CID 44567097
Malayenolide C
CID 10527796
(1R,3E,10R,17S)-3,10,14-trimethyl-7-methylidene-16-oxatricyclo[8.6.1.013,17]heptadeca-3,13-dien-15-one
CID 166634912
(6aR,9aR,9bR)-3,6-dimethyl-9-methylidene-4,6a,7,8,9a,9b-hexahydroazuleno[4,5-b]furan-2-one
CID 10537444
(6aR,9aR,9bR)-3-methyl-6,9-dimethylidene-5,6a,7,8,9a,9b-hexahydro-4H-azuleno[4,5-b]furan-2-one
CID 10751946
(6R,7R,7aS)-6-ethenyl-3,6-dimethyl-7-prop-1-en-2-yl-4,5,7,7a-tetrahydro-1-benzofuran-2-one
CID 11572187
Brianthein W
CID 44584195
[(4aR,5R,6S,7R)-3,4a,5,7-tetramethyl-2-oxo-4,5,6,7-tetrahydrobenzo[f][1]benzofuran-6-yl] acetate
CID 9972159
[(4R,4aR,5R,6S)-3,4,4a,5-tetramethyl-2-oxo-4,5,6,7-tetrahydrobenzo[f][1]benzofuran-6-yl] acetate
CID 15896040

Frequently Asked Questions

What is the IUPAC name of (1S,8R,13R)-1,5,10-trimethyl-7-oxatricyclo[6.4.1.04,13]trideca-4,9-dien-6-one?
The IUPAC name of (1S,8R,13R)-1,5,10-trimethyl-7-oxatricyclo[6.4.1.04,13]trideca-4,9-dien-6-one (CID 163014275) is (1S,8R,13R)-1,5,10-trimethyl-7-oxatricyclo[6.4.1.04,13]trideca-4,9-dien-6-one.
What is the SMILES notation for (1S,8R,13R)-1,5,10-trimethyl-7-oxatricyclo[6.4.1.04,13]trideca-4,9-dien-6-one?
The canonical SMILES for (1S,8R,13R)-1,5,10-trimethyl-7-oxatricyclo[6.4.1.04,13]trideca-4,9-dien-6-one is CC1=C[C@H]2OC(=O)C(C)=C3CC[C@](C)(CC1)[C@H]32.
What is the InChIKey of (1S,8R,13R)-1,5,10-trimethyl-7-oxatricyclo[6.4.1.04,13]trideca-4,9-dien-6-one?
The InChIKey is DGKFETRFKMWAAU-NFAWXSAZSA-N. The full InChI is InChI=1S/C15H20O2/c1-9-4-6-15(3)7-5-11-10(2)14(16)17-12(8-9)13(11)15/h8,12-13H,4-7H2,1-3H3/t12-,13-,15+/m1/s1.
What are the key properties of (1S,8R,13R)-1,5,10-trimethyl-7-oxatricyclo[6.4.1.04,13]trideca-4,9-dien-6-one?
(1S,8R,13R)-1,5,10-trimethyl-7-oxatricyclo[6.4.1.04,13]trideca-4,9-dien-6-one has a molecular weight of 232.32 g/mol, XLogP of 3.38, 0 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for (1S,8R,13R)-1,5,10-trimethyl-7-oxatricyclo[6.4.1.04,13]trideca-4,9-dien-6-one is sourced from PubChem (CID 163014275), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).