1-(7-ethyl-9-tricyclo[6.2.1.01,6]undeca-2,4,9-trienyl)ethanone

C15H18O — CID 67853354

IUPAC1-(7-ethyl-9-tricyclo[6.2.1.01,6]undeca-2,4,9-trienyl)ethanone
SMILESCCC1C2CC3(C=CC=CC13)C=C2C(C)=O
InChIInChI=1S/C15H18O/c1-3-11-13-9-15(8-12(13)10(2)16)7-5-4-6-14(11)15/h4-8,11,13-14H,3,9H2,1-2H3
InChIKeyPRJDQKSISUQXSJ-UHFFFAOYSA-N
MW214.31 g/mol
LogP3.29
Rot. Bonds2

About 1-(7-ethyl-9-tricyclo[6.2.1.01,6]undeca-2,4,9-trienyl)ethanone

1-(7-ethyl-9-tricyclo[6.2.1.01,6]undeca-2,4,9-trienyl)ethanone (PubChem CID 67853354) has the molecular formula C15H18O and a molecular weight of 214.31 g/mol. Its IUPAC name is 1-(7-ethyl-9-tricyclo[6.2.1.01,6]undeca-2,4,9-trienyl)ethanone.

Molecular Properties

Compound Name1-(7-ethyl-9-tricyclo[6.2.1.01,6]undeca-2,4,9-trienyl)ethanone
PubChem CID67853354
Molecular FormulaC15H18O
Molecular Weight214.31 g/mol
Exact Mass214.14
IUPAC Name1-(7-ethyl-9-tricyclo[6.2.1.01,6]undeca-2,4,9-trienyl)ethanone
SMILESCCC1C2CC3(C=CC=CC13)C=C2C(C)=O
InChIInChI=1S/C15H18O/c1-3-11-13-9-15(8-12(13)10(2)16)7-5-4-6-14(11)15/h4-8,11,13-14H,3,9H2,1-2H3
InChIKeyPRJDQKSISUQXSJ-UHFFFAOYSA-N
XLogP3.29
TPSA17.07 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds2
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500214.31
LogP ≤ 53.29
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 101

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Frequently Asked Questions

What is the IUPAC name of 1-(7-ethyl-9-tricyclo[6.2.1.01,6]undeca-2,4,9-trienyl)ethanone?
The IUPAC name of 1-(7-ethyl-9-tricyclo[6.2.1.01,6]undeca-2,4,9-trienyl)ethanone (CID 67853354) is 1-(7-ethyl-9-tricyclo[6.2.1.01,6]undeca-2,4,9-trienyl)ethanone.
What is the SMILES notation for 1-(7-ethyl-9-tricyclo[6.2.1.01,6]undeca-2,4,9-trienyl)ethanone?
The canonical SMILES for 1-(7-ethyl-9-tricyclo[6.2.1.01,6]undeca-2,4,9-trienyl)ethanone is CCC1C2CC3(C=CC=CC13)C=C2C(C)=O.
What is the InChIKey of 1-(7-ethyl-9-tricyclo[6.2.1.01,6]undeca-2,4,9-trienyl)ethanone?
The InChIKey is PRJDQKSISUQXSJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H18O/c1-3-11-13-9-15(8-12(13)10(2)16)7-5-4-6-14(11)15/h4-8,11,13-14H,3,9H2,1-2H3.
What are the key properties of 1-(7-ethyl-9-tricyclo[6.2.1.01,6]undeca-2,4,9-trienyl)ethanone?
1-(7-ethyl-9-tricyclo[6.2.1.01,6]undeca-2,4,9-trienyl)ethanone has a molecular weight of 214.31 g/mol, XLogP of 3.29, 2 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(7-ethyl-9-tricyclo[6.2.1.01,6]undeca-2,4,9-trienyl)ethanone is sourced from PubChem (CID 67853354), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).