(1S,9S)-tetracyclo[7.6.1.02,7.010,15]hexadeca-2,4,6,10,12,14-hexaen-8-one

C16H12O — CID 98115763

IUPAC(1S,9S)-tetracyclo[7.6.1.02,7.010,15]hexadeca-2,4,6,10,12,14-hexaen-8-one
SMILESO=C1c2ccccc2[C@H]2C[C@H]1c1ccccc12
InChIInChI=1S/C16H12O/c17-16-13-8-4-3-7-12(13)14-9-15(16)11-6-2-1-5-10(11)14/h1-8,14-15H,9H2/t14-,15-/m0/s1
InChIKeyGQGHDCRDNRFAJQ-GJZGRUSLSA-N
MW220.27 g/mol
LogP3.50
Rot. Bonds

About (1S,9S)-tetracyclo[7.6.1.02,7.010,15]hexadeca-2,4,6,10,12,14-hexaen-8-one

(1S,9S)-tetracyclo[7.6.1.02,7.010,15]hexadeca-2,4,6,10,12,14-hexaen-8-one (PubChem CID 98115763) has the molecular formula C16H12O and a molecular weight of 220.27 g/mol. Its IUPAC name is (1S,9S)-tetracyclo[7.6.1.02,7.010,15]hexadeca-2,4,6,10,12,14-hexaen-8-one.

Molecular Properties

Compound Name(1S,9S)-tetracyclo[7.6.1.02,7.010,15]hexadeca-2,4,6,10,12,14-hexaen-8-one
PubChem CID98115763
Molecular FormulaC16H12O
Molecular Weight220.27 g/mol
Exact Mass220.09
IUPAC Name(1S,9S)-tetracyclo[7.6.1.02,7.010,15]hexadeca-2,4,6,10,12,14-hexaen-8-one
SMILESO=C1c2ccccc2[C@H]2C[C@H]1c1ccccc12
InChIInChI=1S/C16H12O/c17-16-13-8-4-3-7-12(13)14-9-15(16)11-6-2-1-5-10(11)14/h1-8,14-15H,9H2/t14-,15-/m0/s1
InChIKeyGQGHDCRDNRFAJQ-GJZGRUSLSA-N
XLogP3.50
TPSA17.07 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500220.27
LogP ≤ 53.50
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 101

Analyze (1S,9S)-tetracyclo[7.6.1.02,7.010,15]hexadeca-2,4,6,10,12,14-hexaen-8-one with MolForge

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Related Compounds

(1R,8S)-5-oxatetracyclo[6.6.1.02,6.09,14]pentadeca-2(6),3,9,11,13-pentaen-7-one
CID 101152217
(1S,8S)-tricyclo[6.2.2.02,7]dodeca-2,4,6-triene-9,10-dione
CID 98163918
2-acetyl-4-phenyl-3,4-dihydro-2H-naphthalen-1-one
CID 102165445
(1R,8R,10S,13R)-tetracyclo[6.6.1.110,13.02,7]hexadeca-2,4,6-triene-9,14-dione
CID 98557806
1,2,3,4,4a,9a-hexahydrofluoren-9-one
CID 604181
(3aS,8bR)-2,3,3a,8b-tetrahydro-1H-cyclopenta[a]inden-4-one
CID 102345002
8-phenylbicyclo[4.2.0]octa-1,3,5-trien-7-one
CID 14617627
3-(2,3-dichlorophenyl)-2,3-dihydroinden-1-one
CID 59581979
10-hydroxy-9a,10-dihydro-1H-anthracen-9-one
CID 163837296
ethyl 1-oxo-4-phenyl-3,4-dihydro-2H-naphthalene-2-carboxylate
CID 102165448
1-methylidene-1a,6a-dihydrocyclopropa[a]inden-6-one
CID 86001889
tricyclo[6.2.1.02,7]undeca-2,4,6-trien-9-one
CID 575764

Frequently Asked Questions

What is the IUPAC name of (1S,9S)-tetracyclo[7.6.1.02,7.010,15]hexadeca-2,4,6,10,12,14-hexaen-8-one?
The IUPAC name of (1S,9S)-tetracyclo[7.6.1.02,7.010,15]hexadeca-2,4,6,10,12,14-hexaen-8-one (CID 98115763) is (1S,9S)-tetracyclo[7.6.1.02,7.010,15]hexadeca-2,4,6,10,12,14-hexaen-8-one.
What is the SMILES notation for (1S,9S)-tetracyclo[7.6.1.02,7.010,15]hexadeca-2,4,6,10,12,14-hexaen-8-one?
The canonical SMILES for (1S,9S)-tetracyclo[7.6.1.02,7.010,15]hexadeca-2,4,6,10,12,14-hexaen-8-one is O=C1c2ccccc2[C@H]2C[C@H]1c1ccccc12.
What is the InChIKey of (1S,9S)-tetracyclo[7.6.1.02,7.010,15]hexadeca-2,4,6,10,12,14-hexaen-8-one?
The InChIKey is GQGHDCRDNRFAJQ-GJZGRUSLSA-N. The full InChI is InChI=1S/C16H12O/c17-16-13-8-4-3-7-12(13)14-9-15(16)11-6-2-1-5-10(11)14/h1-8,14-15H,9H2/t14-,15-/m0/s1.
What are the key properties of (1S,9S)-tetracyclo[7.6.1.02,7.010,15]hexadeca-2,4,6,10,12,14-hexaen-8-one?
(1S,9S)-tetracyclo[7.6.1.02,7.010,15]hexadeca-2,4,6,10,12,14-hexaen-8-one has a molecular weight of 220.27 g/mol, XLogP of 3.50, 0 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for (1S,9S)-tetracyclo[7.6.1.02,7.010,15]hexadeca-2,4,6,10,12,14-hexaen-8-one is sourced from PubChem (CID 98115763), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).