(1R,4R,7Z,10S)-4,12,12-trimethyl-5-oxatricyclo[8.2.0.04,6]dodec-7-en-9-one

C14H20O2 — CID 101170815

IUPAC(1R,4R,7Z,10S)-4,12,12-trimethyl-5-oxatricyclo[8.2.0.04,6]dodec-7-en-9-one
SMILESCC1(C)C[C@@H]2C(=O)/C=C\C3O[C@]3(C)CC[C@H]21
InChIInChI=1S/C14H20O2/c1-13(2)8-9-10(13)6-7-14(3)12(16-14)5-4-11(9)15/h4-5,9-10,12H,6-8H2,1-3H3/b5-4-/t9-,10+,12?,14+/m0/s1
InChIKeyGXUZRFKUXMATHW-JPFXRMDDSA-N
MW220.31 g/mol
LogP2.73
Rot. Bonds

About (1R,4R,7Z,10S)-4,12,12-trimethyl-5-oxatricyclo[8.2.0.04,6]dodec-7-en-9-one

(1R,4R,7Z,10S)-4,12,12-trimethyl-5-oxatricyclo[8.2.0.04,6]dodec-7-en-9-one (PubChem CID 101170815) has the molecular formula C14H20O2 and a molecular weight of 220.31 g/mol. Its IUPAC name is (1R,4R,7Z,10S)-4,12,12-trimethyl-5-oxatricyclo[8.2.0.04,6]dodec-7-en-9-one.

Molecular Properties

Compound Name(1R,4R,7Z,10S)-4,12,12-trimethyl-5-oxatricyclo[8.2.0.04,6]dodec-7-en-9-one
PubChem CID101170815
Molecular FormulaC14H20O2
Molecular Weight220.31 g/mol
Exact Mass220.15
IUPAC Name(1R,4R,7Z,10S)-4,12,12-trimethyl-5-oxatricyclo[8.2.0.04,6]dodec-7-en-9-one
SMILESCC1(C)C[C@@H]2C(=O)/C=C\C3O[C@]3(C)CC[C@H]21
InChIInChI=1S/C14H20O2/c1-13(2)8-9-10(13)6-7-14(3)12(16-14)5-4-11(9)15/h4-5,9-10,12H,6-8H2,1-3H3/b5-4-/t9-,10+,12?,14+/m0/s1
InChIKeyGXUZRFKUXMATHW-JPFXRMDDSA-N
XLogP2.73
TPSA29.60 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500220.31
LogP ≤ 52.73
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Three-membered_heterocycle', 'substructure': 'N/A'}

Analyze (1R,4R,7Z,10S)-4,12,12-trimethyl-5-oxatricyclo[8.2.0.04,6]dodec-7-en-9-one with MolForge

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Related Compounds

(1R,4R,6R,10S)-4,12,12-trimethyl-9-methylidene-5-oxatricyclo[8.2.0.04,6]dodecan-8-one
CID 10847309
(1R,4S,6S)-4,12,12-trimethyltricyclo[8.2.0.04,6]dodecan-9-one
CID 90336150
(1S,3S,6R)-3,7,7-trimethylbicyclo[4.2.0]octan-2-one
CID 131057170
4,12,12-trimethyl-9-methylidenetricyclo[8.2.0.04,6]dodecan-5-one
CID 14697674
(1S,4S,7R)-2,4,8,8-tetramethylbicyclo[5.2.0]non-2-ene-4-carboxylic acid
CID 71697384
(1R,4R,8S)-4,10,10-trimethyl-7-methylidenebicyclo[6.2.0]decane-4-carbaldehyde
CID 162391180
(1S,2S,6R,7R)-4,4-dimethyl-3,5-dioxatricyclo[5.3.1.02,6]undec-9-en-8-one
CID 101083477
(1S,2S,6R,7S)-4,4-dimethyl-3,5-dioxatricyclo[5.3.1.02,6]undec-9-en-8-one
CID 11229323
10,10-dimethylbicyclo[7.2.0]undecan-2-one
CID 91392358
(1S,4R,5S,6R)-1,3,3-trimethyl-2-oxabicyclo[2.2.2]octane-5,6-diol
CID 124674049
6,10,10-trimethylbicyclo[7.2.0]undec-5-en-2-one
CID 4033896
4,4,8-trimethyltricyclo[6.3.1.02,5]dodec-1(11)-en-10-ol
CID 14286031

Frequently Asked Questions

What is the IUPAC name of (1R,4R,7Z,10S)-4,12,12-trimethyl-5-oxatricyclo[8.2.0.04,6]dodec-7-en-9-one?
The IUPAC name of (1R,4R,7Z,10S)-4,12,12-trimethyl-5-oxatricyclo[8.2.0.04,6]dodec-7-en-9-one (CID 101170815) is (1R,4R,7Z,10S)-4,12,12-trimethyl-5-oxatricyclo[8.2.0.04,6]dodec-7-en-9-one.
What is the SMILES notation for (1R,4R,7Z,10S)-4,12,12-trimethyl-5-oxatricyclo[8.2.0.04,6]dodec-7-en-9-one?
The canonical SMILES for (1R,4R,7Z,10S)-4,12,12-trimethyl-5-oxatricyclo[8.2.0.04,6]dodec-7-en-9-one is CC1(C)C[C@@H]2C(=O)/C=C\C3O[C@]3(C)CC[C@H]21.
What is the InChIKey of (1R,4R,7Z,10S)-4,12,12-trimethyl-5-oxatricyclo[8.2.0.04,6]dodec-7-en-9-one?
The InChIKey is GXUZRFKUXMATHW-JPFXRMDDSA-N. The full InChI is InChI=1S/C14H20O2/c1-13(2)8-9-10(13)6-7-14(3)12(16-14)5-4-11(9)15/h4-5,9-10,12H,6-8H2,1-3H3/b5-4-/t9-,10+,12?,14+/m0/s1.
What are the key properties of (1R,4R,7Z,10S)-4,12,12-trimethyl-5-oxatricyclo[8.2.0.04,6]dodec-7-en-9-one?
(1R,4R,7Z,10S)-4,12,12-trimethyl-5-oxatricyclo[8.2.0.04,6]dodec-7-en-9-one has a molecular weight of 220.31 g/mol, XLogP of 2.73, 0 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for (1R,4R,7Z,10S)-4,12,12-trimethyl-5-oxatricyclo[8.2.0.04,6]dodec-7-en-9-one is sourced from PubChem (CID 101170815), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).