tetracyclo[6.6.1.02,6.012,15]pentadeca-1(15),2,4,6,8,10,12-heptaen-14-one

C15H8O — CID 87149150

IUPACtetracyclo[6.6.1.02,6.012,15]pentadeca-1(15),2,4,6,8,10,12-heptaen-14-one
SMILESO=c1cc2cccc3cc4c(c1c32)=CC=C4
InChIInChI=1S/C15H8O/c16-13-8-11-5-1-4-10-7-9-3-2-6-12(9)15(13)14(10)11/h1-8H
InChIKeyFEEZIYKIZLFOPB-UHFFFAOYSA-N
MW204.23 g/mol
LogP2.32
Rot. Bonds

About tetracyclo[6.6.1.02,6.012,15]pentadeca-1(15),2,4,6,8,10,12-heptaen-14-one

tetracyclo[6.6.1.02,6.012,15]pentadeca-1(15),2,4,6,8,10,12-heptaen-14-one (PubChem CID 87149150) has the molecular formula C15H8O and a molecular weight of 204.23 g/mol. Its IUPAC name is tetracyclo[6.6.1.02,6.012,15]pentadeca-1(15),2,4,6,8,10,12-heptaen-14-one.

Molecular Properties

Compound Nametetracyclo[6.6.1.02,6.012,15]pentadeca-1(15),2,4,6,8,10,12-heptaen-14-one
PubChem CID87149150
Molecular FormulaC15H8O
Molecular Weight204.23 g/mol
Exact Mass204.06
IUPAC Nametetracyclo[6.6.1.02,6.012,15]pentadeca-1(15),2,4,6,8,10,12-heptaen-14-one
SMILESO=c1cc2cccc3cc4c(c1c32)=CC=C4
InChIInChI=1S/C15H8O/c16-13-8-11-5-1-4-10-7-9-3-2-6-12(9)15(13)14(10)11/h1-8H
InChIKeyFEEZIYKIZLFOPB-UHFFFAOYSA-N
XLogP2.32
TPSA17.07 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500204.23
LogP ≤ 52.32
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 101

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Frequently Asked Questions

What is the IUPAC name of tetracyclo[6.6.1.02,6.012,15]pentadeca-1(15),2,4,6,8,10,12-heptaen-14-one?
The IUPAC name of tetracyclo[6.6.1.02,6.012,15]pentadeca-1(15),2,4,6,8,10,12-heptaen-14-one (CID 87149150) is tetracyclo[6.6.1.02,6.012,15]pentadeca-1(15),2,4,6,8,10,12-heptaen-14-one.
What is the SMILES notation for tetracyclo[6.6.1.02,6.012,15]pentadeca-1(15),2,4,6,8,10,12-heptaen-14-one?
The canonical SMILES for tetracyclo[6.6.1.02,6.012,15]pentadeca-1(15),2,4,6,8,10,12-heptaen-14-one is O=c1cc2cccc3cc4c(c1c32)=CC=C4.
What is the InChIKey of tetracyclo[6.6.1.02,6.012,15]pentadeca-1(15),2,4,6,8,10,12-heptaen-14-one?
The InChIKey is FEEZIYKIZLFOPB-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H8O/c16-13-8-11-5-1-4-10-7-9-3-2-6-12(9)15(13)14(10)11/h1-8H.
What are the key properties of tetracyclo[6.6.1.02,6.012,15]pentadeca-1(15),2,4,6,8,10,12-heptaen-14-one?
tetracyclo[6.6.1.02,6.012,15]pentadeca-1(15),2,4,6,8,10,12-heptaen-14-one has a molecular weight of 204.23 g/mol, XLogP of 2.32, 0 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for tetracyclo[6.6.1.02,6.012,15]pentadeca-1(15),2,4,6,8,10,12-heptaen-14-one is sourced from PubChem (CID 87149150), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).