1-[(1R,2R,7R)-2,6,6,8-tetramethyl-9-tricyclo[5.3.1.01,5]undec-8-enyl]ethanone

C17H26O — CID 67678962

IUPAC1-[(1R,2R,7R)-2,6,6,8-tetramethyl-9-tricyclo[5.3.1.01,5]undec-8-enyl]ethanone
SMILESCC(=O)C1=C(C)[C@@H]2C[C@]3(C1)C(CC[C@H]3C)C2(C)C
InChIInChI=1S/C17H26O/c1-10-6-7-15-16(4,5)14-9-17(10,15)8-13(11(14)2)12(3)18/h10,14-15H,6-9H2,1-5H3/t10-,14+,15?,17+/m1/s1
InChIKeyYBUIAJZFOGJGLJ-SODLGTPOSA-N
MW246.39 g/mol
LogP4.37
Rot. Bonds1

About 1-[(1R,2R,7R)-2,6,6,8-tetramethyl-9-tricyclo[5.3.1.01,5]undec-8-enyl]ethanone

1-[(1R,2R,7R)-2,6,6,8-tetramethyl-9-tricyclo[5.3.1.01,5]undec-8-enyl]ethanone (PubChem CID 67678962) has the molecular formula C17H26O and a molecular weight of 246.39 g/mol. Its IUPAC name is 1-[(1R,2R,7R)-2,6,6,8-tetramethyl-9-tricyclo[5.3.1.01,5]undec-8-enyl]ethanone.

Molecular Properties

Compound Name1-[(1R,2R,7R)-2,6,6,8-tetramethyl-9-tricyclo[5.3.1.01,5]undec-8-enyl]ethanone
PubChem CID67678962
Molecular FormulaC17H26O
Molecular Weight246.39 g/mol
Exact Mass246.20
IUPAC Name1-[(1R,2R,7R)-2,6,6,8-tetramethyl-9-tricyclo[5.3.1.01,5]undec-8-enyl]ethanone
SMILESCC(=O)C1=C(C)[C@@H]2C[C@]3(C1)C(CC[C@H]3C)C2(C)C
InChIInChI=1S/C17H26O/c1-10-6-7-15-16(4,5)14-9-17(10,15)8-13(11(14)2)12(3)18/h10,14-15H,6-9H2,1-5H3/t10-,14+,15?,17+/m1/s1
InChIKeyYBUIAJZFOGJGLJ-SODLGTPOSA-N
XLogP4.37
TPSA17.07 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds1
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500246.39
LogP ≤ 54.37
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 101

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Frequently Asked Questions

What is the IUPAC name of 1-[(1R,2R,7R)-2,6,6,8-tetramethyl-9-tricyclo[5.3.1.01,5]undec-8-enyl]ethanone?
The IUPAC name of 1-[(1R,2R,7R)-2,6,6,8-tetramethyl-9-tricyclo[5.3.1.01,5]undec-8-enyl]ethanone (CID 67678962) is 1-[(1R,2R,7R)-2,6,6,8-tetramethyl-9-tricyclo[5.3.1.01,5]undec-8-enyl]ethanone.
What is the SMILES notation for 1-[(1R,2R,7R)-2,6,6,8-tetramethyl-9-tricyclo[5.3.1.01,5]undec-8-enyl]ethanone?
The canonical SMILES for 1-[(1R,2R,7R)-2,6,6,8-tetramethyl-9-tricyclo[5.3.1.01,5]undec-8-enyl]ethanone is CC(=O)C1=C(C)[C@@H]2C[C@]3(C1)C(CC[C@H]3C)C2(C)C.
What is the InChIKey of 1-[(1R,2R,7R)-2,6,6,8-tetramethyl-9-tricyclo[5.3.1.01,5]undec-8-enyl]ethanone?
The InChIKey is YBUIAJZFOGJGLJ-SODLGTPOSA-N. The full InChI is InChI=1S/C17H26O/c1-10-6-7-15-16(4,5)14-9-17(10,15)8-13(11(14)2)12(3)18/h10,14-15H,6-9H2,1-5H3/t10-,14+,15?,17+/m1/s1.
What are the key properties of 1-[(1R,2R,7R)-2,6,6,8-tetramethyl-9-tricyclo[5.3.1.01,5]undec-8-enyl]ethanone?
1-[(1R,2R,7R)-2,6,6,8-tetramethyl-9-tricyclo[5.3.1.01,5]undec-8-enyl]ethanone has a molecular weight of 246.39 g/mol, XLogP of 4.37, 1 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[(1R,2R,7R)-2,6,6,8-tetramethyl-9-tricyclo[5.3.1.01,5]undec-8-enyl]ethanone is sourced from PubChem (CID 67678962), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).