tetracyclo[10.2.1.05,14.08,13]pentadeca-1,3,5(14),6,8(13),9,11-heptaen-15-one

C15H8O — CID 21963

IUPACtetracyclo[10.2.1.05,14.08,13]pentadeca-1,3,5(14),6,8(13),9,11-heptaen-15-one
SMILESO=c1c2cccc3ccc4cccc1c4c32
InChIInChI=1S/C15H8O/c16-15-11-5-1-3-9-7-8-10-4-2-6-12(15)14(10)13(9)11/h1-8H
InChIKeyIFCBMPOMNSORDG-UHFFFAOYSA-N
MW204.23 g/mol
LogP3.38
Rot. Bonds

About tetracyclo[10.2.1.05,14.08,13]pentadeca-1,3,5(14),6,8(13),9,11-heptaen-15-one

tetracyclo[10.2.1.05,14.08,13]pentadeca-1,3,5(14),6,8(13),9,11-heptaen-15-one (PubChem CID 21963) has the molecular formula C15H8O and a molecular weight of 204.23 g/mol. Its IUPAC name is tetracyclo[10.2.1.05,14.08,13]pentadeca-1,3,5(14),6,8(13),9,11-heptaen-15-one.

Molecular Properties

Compound Nametetracyclo[10.2.1.05,14.08,13]pentadeca-1,3,5(14),6,8(13),9,11-heptaen-15-one
PubChem CID21963
Molecular FormulaC15H8O
Molecular Weight204.23 g/mol
Exact Mass204.06
IUPAC Nametetracyclo[10.2.1.05,14.08,13]pentadeca-1,3,5(14),6,8(13),9,11-heptaen-15-one
SMILESO=c1c2cccc3ccc4cccc1c4c32
InChIInChI=1S/C15H8O/c16-15-11-5-1-3-9-7-8-10-4-2-6-12(15)14(10)13(9)11/h1-8H
InChIKeyIFCBMPOMNSORDG-UHFFFAOYSA-N
XLogP3.38
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 ≤ 53.38
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 101

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Polycyclic_aromatic_hydrocarbon_3', 'substructure': 'N/A'}

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Related Compounds

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CID 6780
9,10-Phenanthrenedione
CID 6763
Diphacinone
CID 6719
Anthrone
CID 7018
Fluorenone
CID 10241
Benzanthrone
CID 6697
2-Acetylnaphthalene
CID 7122
Acenaphthenequinone
CID 6724
2-Ethylanthraquinone
CID 6772
2-Methylanthraquinone
CID 6773
Florantyrone
CID 10617
Phenalenone
CID 11050

Frequently Asked Questions

What is the IUPAC name of tetracyclo[10.2.1.05,14.08,13]pentadeca-1,3,5(14),6,8(13),9,11-heptaen-15-one?
The IUPAC name of tetracyclo[10.2.1.05,14.08,13]pentadeca-1,3,5(14),6,8(13),9,11-heptaen-15-one (CID 21963) is tetracyclo[10.2.1.05,14.08,13]pentadeca-1,3,5(14),6,8(13),9,11-heptaen-15-one.
What is the SMILES notation for tetracyclo[10.2.1.05,14.08,13]pentadeca-1,3,5(14),6,8(13),9,11-heptaen-15-one?
The canonical SMILES for tetracyclo[10.2.1.05,14.08,13]pentadeca-1,3,5(14),6,8(13),9,11-heptaen-15-one is O=c1c2cccc3ccc4cccc1c4c32.
What is the InChIKey of tetracyclo[10.2.1.05,14.08,13]pentadeca-1,3,5(14),6,8(13),9,11-heptaen-15-one?
The InChIKey is IFCBMPOMNSORDG-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H8O/c16-15-11-5-1-3-9-7-8-10-4-2-6-12(15)14(10)13(9)11/h1-8H.
What are the key properties of tetracyclo[10.2.1.05,14.08,13]pentadeca-1,3,5(14),6,8(13),9,11-heptaen-15-one?
tetracyclo[10.2.1.05,14.08,13]pentadeca-1,3,5(14),6,8(13),9,11-heptaen-15-one has a molecular weight of 204.23 g/mol, XLogP of 3.38, 0 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for tetracyclo[10.2.1.05,14.08,13]pentadeca-1,3,5(14),6,8(13),9,11-heptaen-15-one is sourced from PubChem (CID 21963), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).