(1R,5R,11R)-3,3,11-trimethyltricyclo[6.3.0.01,5]undec-7-en-6-one

C14H20O — CID 10242024

IUPAC(1R,5R,11R)-3,3,11-trimethyltricyclo[6.3.0.01,5]undec-7-en-6-one
SMILESC[C@@H]1CCC2=CC(=O)[C@@H]3CC(C)(C)C[C@@]213
InChIInChI=1S/C14H20O/c1-9-4-5-10-6-12(15)11-7-13(2,3)8-14(9,10)11/h6,9,11H,4-5,7-8H2,1-3H3/t9-,11+,14+/m1/s1
InChIKeyWQEFULBSTZRDFL-PUYPPJJSSA-N
MW204.31 g/mol
LogP3.35
Rot. Bonds

About (1R,5R,11R)-3,3,11-trimethyltricyclo[6.3.0.01,5]undec-7-en-6-one

(1R,5R,11R)-3,3,11-trimethyltricyclo[6.3.0.01,5]undec-7-en-6-one (PubChem CID 10242024) has the molecular formula C14H20O and a molecular weight of 204.31 g/mol. Its IUPAC name is (1R,5R,11R)-3,3,11-trimethyltricyclo[6.3.0.01,5]undec-7-en-6-one.

Molecular Properties

Compound Name(1R,5R,11R)-3,3,11-trimethyltricyclo[6.3.0.01,5]undec-7-en-6-one
PubChem CID10242024
Molecular FormulaC14H20O
Molecular Weight204.31 g/mol
Exact Mass204.15
IUPAC Name(1R,5R,11R)-3,3,11-trimethyltricyclo[6.3.0.01,5]undec-7-en-6-one
SMILESC[C@@H]1CCC2=CC(=O)[C@@H]3CC(C)(C)C[C@@]213
InChIInChI=1S/C14H20O/c1-9-4-5-10-6-12(15)11-7-13(2,3)8-14(9,10)11/h6,9,11H,4-5,7-8H2,1-3H3/t9-,11+,14+/m1/s1
InChIKeyWQEFULBSTZRDFL-PUYPPJJSSA-N
XLogP3.35
TPSA17.07 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500204.31
LogP ≤ 53.35
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 101

Analyze (1R,5R,11R)-3,3,11-trimethyltricyclo[6.3.0.01,5]undec-7-en-6-one with MolForge

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Related Compounds

(1S,2S,8R)-10-hydroxy-2-methyltricyclo[6.2.1.01,5]undec-5-en-7-one
CID 130875040
(1R)-7a-hydroxy-1-methyl-2,3,6,7-tetrahydro-1H-inden-5-one
CID 15126341
(1aR)-1,1,7,7a-tetramethyl-1a,4,5,6,7,7b-hexahydrocyclopropa[a]naphthalen-2-one
CID 171338423
(1aR,7aR,7bS)-1,1,7,7a-tetramethyl-1a,2,3,6,7,7b-hexahydrocyclopropa[a]naphthalen-5-one
CID 154790916
(1aS,7R,7aR,7bR)-1,1,7,7a-tetramethyl-1a,4,5,6,7,7b-hexahydrocyclopropa[a]naphthalen-2-one
CID 21124439
(4aR,5R)-4a,5-dimethyl-3,4,5,6,7,8-hexahydronaphthalen-2-one
CID 12704992
(3R,4aR,5S)-4a,5-dimethyl-3-prop-2-enyl-3,4,5,6,7,8-hexahydronaphthalen-2-one
CID 11218249
(2R,8R,9S,10S,13S,14S)-10-(hydroxymethyl)-2,13-dimethyl-2,6,7,8,9,11,12,14,15,16-decahydro-1H-cyclopenta[a]phenanthrene-3,17-dione
CID 10990722
2-(7-hydroxy-8,8a-dimethyl-6-oxo-1,2,3,4,7,8-hexahydronaphthalen-2-yl)prop-2-enoic acid
CID 163036958
(1S)-1-hydroxy-7a-methyl-2,3,6,7-tetrahydro-1H-inden-5-one
CID 13033866
2,2,4,6-tetramethyl-8-azaspiro[4.5]decane-7,9-dione
CID 106664475
(4aS,6R)-4,4a-dimethyl-6-prop-1-en-2-yl-3,4,5,6,7,8-hexahydronaphthalen-2-one
CID 176717300

Frequently Asked Questions

What is the IUPAC name of (1R,5R,11R)-3,3,11-trimethyltricyclo[6.3.0.01,5]undec-7-en-6-one?
The IUPAC name of (1R,5R,11R)-3,3,11-trimethyltricyclo[6.3.0.01,5]undec-7-en-6-one (CID 10242024) is (1R,5R,11R)-3,3,11-trimethyltricyclo[6.3.0.01,5]undec-7-en-6-one.
What is the SMILES notation for (1R,5R,11R)-3,3,11-trimethyltricyclo[6.3.0.01,5]undec-7-en-6-one?
The canonical SMILES for (1R,5R,11R)-3,3,11-trimethyltricyclo[6.3.0.01,5]undec-7-en-6-one is C[C@@H]1CCC2=CC(=O)[C@@H]3CC(C)(C)C[C@@]213.
What is the InChIKey of (1R,5R,11R)-3,3,11-trimethyltricyclo[6.3.0.01,5]undec-7-en-6-one?
The InChIKey is WQEFULBSTZRDFL-PUYPPJJSSA-N. The full InChI is InChI=1S/C14H20O/c1-9-4-5-10-6-12(15)11-7-13(2,3)8-14(9,10)11/h6,9,11H,4-5,7-8H2,1-3H3/t9-,11+,14+/m1/s1.
What are the key properties of (1R,5R,11R)-3,3,11-trimethyltricyclo[6.3.0.01,5]undec-7-en-6-one?
(1R,5R,11R)-3,3,11-trimethyltricyclo[6.3.0.01,5]undec-7-en-6-one has a molecular weight of 204.31 g/mol, XLogP of 3.35, 0 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for (1R,5R,11R)-3,3,11-trimethyltricyclo[6.3.0.01,5]undec-7-en-6-one is sourced from PubChem (CID 10242024), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).