(1S,2S,4S)-3,3,7,12-tetramethyl-10-oxatricyclo[6.4.0.02,4]dodeca-7,11-dien-9-one

C15H20O2 — CID 10657217

IUPAC(1S,2S,4S)-3,3,7,12-tetramethyl-10-oxatricyclo[6.4.0.02,4]dodeca-7,11-dien-9-one
SMILESCC1=COC(=O)C2=C(C)CC[C@H]3[C@@H]([C@@H]12)C3(C)C
InChIInChI=1S/C15H20O2/c1-8-5-6-10-13(15(10,3)4)11-9(2)7-17-14(16)12(8)11/h7,10-11,13H,5-6H2,1-4H3/t10-,11-,13-/m0/s1
InChIKeyIEOQPTYTLIVFRB-GVXVVHGQSA-N
MW232.32 g/mol
LogP3.45
Rot. Bonds

About (1S,2S,4S)-3,3,7,12-tetramethyl-10-oxatricyclo[6.4.0.02,4]dodeca-7,11-dien-9-one

(1S,2S,4S)-3,3,7,12-tetramethyl-10-oxatricyclo[6.4.0.02,4]dodeca-7,11-dien-9-one (PubChem CID 10657217) has the molecular formula C15H20O2 and a molecular weight of 232.32 g/mol. Its IUPAC name is (1S,2S,4S)-3,3,7,12-tetramethyl-10-oxatricyclo[6.4.0.02,4]dodeca-7,11-dien-9-one.

Molecular Properties

Compound Name(1S,2S,4S)-3,3,7,12-tetramethyl-10-oxatricyclo[6.4.0.02,4]dodeca-7,11-dien-9-one
PubChem CID10657217
Molecular FormulaC15H20O2
Molecular Weight232.32 g/mol
Exact Mass232.15
IUPAC Name(1S,2S,4S)-3,3,7,12-tetramethyl-10-oxatricyclo[6.4.0.02,4]dodeca-7,11-dien-9-one
SMILESCC1=COC(=O)C2=C(C)CC[C@H]3[C@@H]([C@@H]12)C3(C)C
InChIInChI=1S/C15H20O2/c1-8-5-6-10-13(15(10,3)4)11-9(2)7-17-14(16)12(8)11/h7,10-11,13H,5-6H2,1-4H3/t10-,11-,13-/m0/s1
InChIKeyIEOQPTYTLIVFRB-GVXVVHGQSA-N
XLogP3.45
TPSA26.30 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500232.32
LogP ≤ 53.45
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of (1S,2S,4S)-3,3,7,12-tetramethyl-10-oxatricyclo[6.4.0.02,4]dodeca-7,11-dien-9-one?
The IUPAC name of (1S,2S,4S)-3,3,7,12-tetramethyl-10-oxatricyclo[6.4.0.02,4]dodeca-7,11-dien-9-one (CID 10657217) is (1S,2S,4S)-3,3,7,12-tetramethyl-10-oxatricyclo[6.4.0.02,4]dodeca-7,11-dien-9-one.
What is the SMILES notation for (1S,2S,4S)-3,3,7,12-tetramethyl-10-oxatricyclo[6.4.0.02,4]dodeca-7,11-dien-9-one?
The canonical SMILES for (1S,2S,4S)-3,3,7,12-tetramethyl-10-oxatricyclo[6.4.0.02,4]dodeca-7,11-dien-9-one is CC1=COC(=O)C2=C(C)CC[C@H]3[C@@H]([C@@H]12)C3(C)C.
What is the InChIKey of (1S,2S,4S)-3,3,7,12-tetramethyl-10-oxatricyclo[6.4.0.02,4]dodeca-7,11-dien-9-one?
The InChIKey is IEOQPTYTLIVFRB-GVXVVHGQSA-N. The full InChI is InChI=1S/C15H20O2/c1-8-5-6-10-13(15(10,3)4)11-9(2)7-17-14(16)12(8)11/h7,10-11,13H,5-6H2,1-4H3/t10-,11-,13-/m0/s1.
What are the key properties of (1S,2S,4S)-3,3,7,12-tetramethyl-10-oxatricyclo[6.4.0.02,4]dodeca-7,11-dien-9-one?
(1S,2S,4S)-3,3,7,12-tetramethyl-10-oxatricyclo[6.4.0.02,4]dodeca-7,11-dien-9-one has a molecular weight of 232.32 g/mol, XLogP of 3.45, 0 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for (1S,2S,4S)-3,3,7,12-tetramethyl-10-oxatricyclo[6.4.0.02,4]dodeca-7,11-dien-9-one is sourced from PubChem (CID 10657217), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).