(1R,2R,5S,8S,9R)-2,3,5,9-tetramethyltricyclo[6.3.0.01,5]undec-3-en-6-one

C15H22O — CID 14313783

IUPAC(1R,2R,5S,8S,9R)-2,3,5,9-tetramethyltricyclo[6.3.0.01,5]undec-3-en-6-one
SMILESCC1=C[C@]2(C)C(=O)C[C@H]3[C@H](C)CC[C@]32[C@@H]1C
InChIInChI=1S/C15H22O/c1-9-5-6-15-11(3)10(2)8-14(15,4)13(16)7-12(9)15/h8-9,11-12H,5-7H2,1-4H3/t9-,11-,12+,14-,15+/m1/s1
InChIKeyWTORUARCGCVBSQ-DJOIZQNCSA-N
MW218.34 g/mol
LogP3.59
Rot. Bonds

About (1R,2R,5S,8S,9R)-2,3,5,9-tetramethyltricyclo[6.3.0.01,5]undec-3-en-6-one

(1R,2R,5S,8S,9R)-2,3,5,9-tetramethyltricyclo[6.3.0.01,5]undec-3-en-6-one (PubChem CID 14313783) has the molecular formula C15H22O and a molecular weight of 218.34 g/mol. Its IUPAC name is (1R,2R,5S,8S,9R)-2,3,5,9-tetramethyltricyclo[6.3.0.01,5]undec-3-en-6-one.

Molecular Properties

Compound Name(1R,2R,5S,8S,9R)-2,3,5,9-tetramethyltricyclo[6.3.0.01,5]undec-3-en-6-one
PubChem CID14313783
Molecular FormulaC15H22O
Molecular Weight218.34 g/mol
Exact Mass218.17
IUPAC Name(1R,2R,5S,8S,9R)-2,3,5,9-tetramethyltricyclo[6.3.0.01,5]undec-3-en-6-one
SMILESCC1=C[C@]2(C)C(=O)C[C@H]3[C@H](C)CC[C@]32[C@@H]1C
InChIInChI=1S/C15H22O/c1-9-5-6-15-11(3)10(2)8-14(15,4)13(16)7-12(9)15/h8-9,11-12H,5-7H2,1-4H3/t9-,11-,12+,14-,15+/m1/s1
InChIKeyWTORUARCGCVBSQ-DJOIZQNCSA-N
XLogP3.59
TPSA17.07 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500218.34
LogP ≤ 53.59
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 101

Computed Properties (RDKit)

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

Analyze (1R,2R,5S,8S,9R)-2,3,5,9-tetramethyltricyclo[6.3.0.01,5]undec-3-en-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

Frequently Asked Questions

What is the IUPAC name of (1R,2R,5S,8S,9R)-2,3,5,9-tetramethyltricyclo[6.3.0.01,5]undec-3-en-6-one?
The IUPAC name of (1R,2R,5S,8S,9R)-2,3,5,9-tetramethyltricyclo[6.3.0.01,5]undec-3-en-6-one (CID 14313783) is (1R,2R,5S,8S,9R)-2,3,5,9-tetramethyltricyclo[6.3.0.01,5]undec-3-en-6-one.
What is the SMILES notation for (1R,2R,5S,8S,9R)-2,3,5,9-tetramethyltricyclo[6.3.0.01,5]undec-3-en-6-one?
The canonical SMILES for (1R,2R,5S,8S,9R)-2,3,5,9-tetramethyltricyclo[6.3.0.01,5]undec-3-en-6-one is CC1=C[C@]2(C)C(=O)C[C@H]3[C@H](C)CC[C@]32[C@@H]1C.
What is the InChIKey of (1R,2R,5S,8S,9R)-2,3,5,9-tetramethyltricyclo[6.3.0.01,5]undec-3-en-6-one?
The InChIKey is WTORUARCGCVBSQ-DJOIZQNCSA-N. The full InChI is InChI=1S/C15H22O/c1-9-5-6-15-11(3)10(2)8-14(15,4)13(16)7-12(9)15/h8-9,11-12H,5-7H2,1-4H3/t9-,11-,12+,14-,15+/m1/s1.
What are the key properties of (1R,2R,5S,8S,9R)-2,3,5,9-tetramethyltricyclo[6.3.0.01,5]undec-3-en-6-one?
(1R,2R,5S,8S,9R)-2,3,5,9-tetramethyltricyclo[6.3.0.01,5]undec-3-en-6-one has a molecular weight of 218.34 g/mol, XLogP of 3.59, 0 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for (1R,2R,5S,8S,9R)-2,3,5,9-tetramethyltricyclo[6.3.0.01,5]undec-3-en-6-one is sourced from PubChem (CID 14313783), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).