(1R,6R,9R)-6-methyl-10-methylidenetricyclo[7.2.1.01,6]dodecane-2,8-dione

C14H18O2 — CID 102436648

IUPAC(1R,6R,9R)-6-methyl-10-methylidenetricyclo[7.2.1.01,6]dodecane-2,8-dione
SMILESC=C1C[C@]23C[C@H]1C(=O)C[C@@]2(C)CCCC3=O
InChIInChI=1S/C14H18O2/c1-9-6-14-7-10(9)11(15)8-13(14,2)5-3-4-12(14)16/h10H,1,3-8H2,2H3/t10-,13-,14-/m1/s1
InChIKeyNPIHLINUJXXXRC-LERXQTSPSA-N
MW218.30 g/mol
LogP2.67
Rot. Bonds

About (1R,6R,9R)-6-methyl-10-methylidenetricyclo[7.2.1.01,6]dodecane-2,8-dione

(1R,6R,9R)-6-methyl-10-methylidenetricyclo[7.2.1.01,6]dodecane-2,8-dione (PubChem CID 102436648) has the molecular formula C14H18O2 and a molecular weight of 218.30 g/mol. Its IUPAC name is (1R,6R,9R)-6-methyl-10-methylidenetricyclo[7.2.1.01,6]dodecane-2,8-dione.

Molecular Properties

Compound Name(1R,6R,9R)-6-methyl-10-methylidenetricyclo[7.2.1.01,6]dodecane-2,8-dione
PubChem CID102436648
Molecular FormulaC14H18O2
Molecular Weight218.30 g/mol
Exact Mass218.13
IUPAC Name(1R,6R,9R)-6-methyl-10-methylidenetricyclo[7.2.1.01,6]dodecane-2,8-dione
SMILESC=C1C[C@]23C[C@H]1C(=O)C[C@@]2(C)CCCC3=O
InChIInChI=1S/C14H18O2/c1-9-6-14-7-10(9)11(15)8-13(14,2)5-3-4-12(14)16/h10H,1,3-8H2,2H3/t10-,13-,14-/m1/s1
InChIKeyNPIHLINUJXXXRC-LERXQTSPSA-N
XLogP2.67
TPSA34.14 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500218.30
LogP ≤ 52.67
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

Analyze (1R,6R,9R)-6-methyl-10-methylidenetricyclo[7.2.1.01,6]dodecane-2,8-dione with MolForge

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Related Compounds

(1R,6R)-tricyclo[4.4.1.01,6]undecane-2,7-dione
CID 130765311
(5R)-9-methylidenespiro[4.4]nonan-4-one
CID 101143196
10-methylidenetricyclo[4.3.2.01,6]undecan-7-one
CID 130030751
(1S,6R,9R)-10-methylidenetricyclo[7.2.1.01,6]dodecane-4,8-dione
CID 139249587
dimethyl (3aS,7aS)-3a,7a-dimethyl-3-methylidene-4-oxo-2,5,6,7-tetrahydroindene-1,1-dicarboxylate
CID 101411624
(2S)-2-tert-butyl-2-methylcyclopentan-1-one
CID 58159062
(1S,6R)-6-methyl-2,10-dimethylidene-12-oxatricyclo[7.3.1.01,6]tridecan-11-one
CID 162912447
(3aS,6aR)-3a,6a-dimethyl-2-oxo-3,4,5,6-tetrahydro-1H-pentalene-1-carbonitrile
CID 131160350
(1R,9R)-6,10,10-trimethyl-11-oxatricyclo[7.2.1.01,6]dodecan-2-one
CID 5320214
(2R)-2-hydroxy-2-methylcyclopentan-1-one
CID 13397596
1,5-dimethylbicyclo[3.2.0]heptan-6-one
CID 71351670
dispiro[2.0.34.43]undecan-11-one
CID 121217052

Frequently Asked Questions

What is the IUPAC name of (1R,6R,9R)-6-methyl-10-methylidenetricyclo[7.2.1.01,6]dodecane-2,8-dione?
The IUPAC name of (1R,6R,9R)-6-methyl-10-methylidenetricyclo[7.2.1.01,6]dodecane-2,8-dione (CID 102436648) is (1R,6R,9R)-6-methyl-10-methylidenetricyclo[7.2.1.01,6]dodecane-2,8-dione.
What is the SMILES notation for (1R,6R,9R)-6-methyl-10-methylidenetricyclo[7.2.1.01,6]dodecane-2,8-dione?
The canonical SMILES for (1R,6R,9R)-6-methyl-10-methylidenetricyclo[7.2.1.01,6]dodecane-2,8-dione is C=C1C[C@]23C[C@H]1C(=O)C[C@@]2(C)CCCC3=O.
What is the InChIKey of (1R,6R,9R)-6-methyl-10-methylidenetricyclo[7.2.1.01,6]dodecane-2,8-dione?
The InChIKey is NPIHLINUJXXXRC-LERXQTSPSA-N. The full InChI is InChI=1S/C14H18O2/c1-9-6-14-7-10(9)11(15)8-13(14,2)5-3-4-12(14)16/h10H,1,3-8H2,2H3/t10-,13-,14-/m1/s1.
What are the key properties of (1R,6R,9R)-6-methyl-10-methylidenetricyclo[7.2.1.01,6]dodecane-2,8-dione?
(1R,6R,9R)-6-methyl-10-methylidenetricyclo[7.2.1.01,6]dodecane-2,8-dione has a molecular weight of 218.30 g/mol, XLogP of 2.67, 0 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for (1R,6R,9R)-6-methyl-10-methylidenetricyclo[7.2.1.01,6]dodecane-2,8-dione is sourced from PubChem (CID 102436648), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).