(1R,7R)-7-methyltricyclo[10.4.0.02,7]hexadeca-4,14-diene-3,16-dione

C17H22O2 — CID 164932606

IUPAC(1R,7R)-7-methyltricyclo[10.4.0.02,7]hexadeca-4,14-diene-3,16-dione
SMILESC[C@@]12CC=CC(=O)C1[C@@H]1C(=O)C=CCC1CCCC2
InChIInChI=1S/C17H22O2/c1-17-10-3-2-6-12-7-4-8-13(18)15(12)16(17)14(19)9-5-11-17/h4-5,8-9,12,15-16H,2-3,6-7,10-11H2,1H3/t12?,15-,16?,17+/m0/s1
InChIKeyJJMVQWIGBMUZSC-FPLFOGFYSA-N
MW258.36 g/mol
LogP3.47
Rot. Bonds

About (1R,7R)-7-methyltricyclo[10.4.0.02,7]hexadeca-4,14-diene-3,16-dione

(1R,7R)-7-methyltricyclo[10.4.0.02,7]hexadeca-4,14-diene-3,16-dione (PubChem CID 164932606) has the molecular formula C17H22O2 and a molecular weight of 258.36 g/mol. Its IUPAC name is (1R,7R)-7-methyltricyclo[10.4.0.02,7]hexadeca-4,14-diene-3,16-dione.

Molecular Properties

Compound Name(1R,7R)-7-methyltricyclo[10.4.0.02,7]hexadeca-4,14-diene-3,16-dione
PubChem CID164932606
Molecular FormulaC17H22O2
Molecular Weight258.36 g/mol
Exact Mass258.16
IUPAC Name(1R,7R)-7-methyltricyclo[10.4.0.02,7]hexadeca-4,14-diene-3,16-dione
SMILESC[C@@]12CC=CC(=O)C1[C@@H]1C(=O)C=CCC1CCCC2
InChIInChI=1S/C17H22O2/c1-17-10-3-2-6-12-7-4-8-13(18)15(12)16(17)14(19)9-5-11-17/h4-5,8-9,12,15-16H,2-3,6-7,10-11H2,1H3/t12?,15-,16?,17+/m0/s1
InChIKeyJJMVQWIGBMUZSC-FPLFOGFYSA-N
XLogP3.47
TPSA34.14 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500258.36
LogP ≤ 53.47
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

Analyze (1R,7R)-7-methyltricyclo[10.4.0.02,7]hexadeca-4,14-diene-3,16-dione with MolForge

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Related Compounds

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(2R,11R)-tricyclo[9.4.0.02,7]pentadeca-4,8,13-triene-3,15-dione
CID 138606682
(4aS,9aR)-4a-methyl-3,4,5,8,9,9a-hexahydro-2H-benzo[7]annulen-1-one
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(4aS,8aS)-1-chloro-4a-methyl-1,3,4,5,6,7,8,8a-octahydronaphthalen-2-one
CID 130762291
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CID 11030167
(1R,5S)-1,8,8-trimethylbicyclo[3.2.1]oct-3-en-2-one
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CID 98561435
6a-methyl-2,3,3a,6-tetrahydro-1H-pentalene
CID 145030018
tert-butyl (1R,2S,7S,10R)-3-oxo-13-azatricyclo[8.2.1.02,7]tridec-4-ene-13-carboxylate
CID 10356949
(1S,1'S,2'R,6S,6'R,8'S)-spiro[bicyclo[4.1.0]hept-3-ene-7,7'-tricyclo[6.3.1.12,6]tridecane]-2,5-dione
CID 98475695
8-ethylidene-2,3,4,4a,5,8a-hexahydro-1H-naphthalene
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Frequently Asked Questions

What is the IUPAC name of (1R,7R)-7-methyltricyclo[10.4.0.02,7]hexadeca-4,14-diene-3,16-dione?
The IUPAC name of (1R,7R)-7-methyltricyclo[10.4.0.02,7]hexadeca-4,14-diene-3,16-dione (CID 164932606) is (1R,7R)-7-methyltricyclo[10.4.0.02,7]hexadeca-4,14-diene-3,16-dione.
What is the SMILES notation for (1R,7R)-7-methyltricyclo[10.4.0.02,7]hexadeca-4,14-diene-3,16-dione?
The canonical SMILES for (1R,7R)-7-methyltricyclo[10.4.0.02,7]hexadeca-4,14-diene-3,16-dione is C[C@@]12CC=CC(=O)C1[C@@H]1C(=O)C=CCC1CCCC2.
What is the InChIKey of (1R,7R)-7-methyltricyclo[10.4.0.02,7]hexadeca-4,14-diene-3,16-dione?
The InChIKey is JJMVQWIGBMUZSC-FPLFOGFYSA-N. The full InChI is InChI=1S/C17H22O2/c1-17-10-3-2-6-12-7-4-8-13(18)15(12)16(17)14(19)9-5-11-17/h4-5,8-9,12,15-16H,2-3,6-7,10-11H2,1H3/t12?,15-,16?,17+/m0/s1.
What are the key properties of (1R,7R)-7-methyltricyclo[10.4.0.02,7]hexadeca-4,14-diene-3,16-dione?
(1R,7R)-7-methyltricyclo[10.4.0.02,7]hexadeca-4,14-diene-3,16-dione has a molecular weight of 258.36 g/mol, XLogP of 3.47, 0 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for (1R,7R)-7-methyltricyclo[10.4.0.02,7]hexadeca-4,14-diene-3,16-dione is sourced from PubChem (CID 164932606), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).