tetracyclo[10.4.0.02,6.06,10]hexadeca-1(16),2,12,14-tetraen-4-one

C16H16O — CID 102288105

IUPACtetracyclo[10.4.0.02,6.06,10]hexadeca-1(16),2,12,14-tetraen-4-one
SMILESO=C1C=C2c3ccccc3CC3CCCC23C1
InChIInChI=1S/C16H16O/c17-13-9-15-14-6-2-1-4-11(14)8-12-5-3-7-16(12,15)10-13/h1-2,4,6,9,12H,3,5,7-8,10H2
InChIKeyMHRVNILMAIXZRA-UHFFFAOYSA-N
MW224.30 g/mol
LogP3.39
Rot. Bonds

About tetracyclo[10.4.0.02,6.06,10]hexadeca-1(16),2,12,14-tetraen-4-one

tetracyclo[10.4.0.02,6.06,10]hexadeca-1(16),2,12,14-tetraen-4-one (PubChem CID 102288105) has the molecular formula C16H16O and a molecular weight of 224.30 g/mol. Its IUPAC name is tetracyclo[10.4.0.02,6.06,10]hexadeca-1(16),2,12,14-tetraen-4-one.

Molecular Properties

Compound Nametetracyclo[10.4.0.02,6.06,10]hexadeca-1(16),2,12,14-tetraen-4-one
PubChem CID102288105
Molecular FormulaC16H16O
Molecular Weight224.30 g/mol
Exact Mass224.12
IUPAC Nametetracyclo[10.4.0.02,6.06,10]hexadeca-1(16),2,12,14-tetraen-4-one
SMILESO=C1C=C2c3ccccc3CC3CCCC23C1
InChIInChI=1S/C16H16O/c17-13-9-15-14-6-2-1-4-11(14)8-12-5-3-7-16(12,15)10-13/h1-2,4,6,9,12H,3,5,7-8,10H2
InChIKeyMHRVNILMAIXZRA-UHFFFAOYSA-N
XLogP3.39
TPSA17.07 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500224.30
LogP ≤ 53.39
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 101

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Related Compounds

(10aS)-10a-methyl-1,2,9,10-tetrahydrophenanthren-3-one
CID 71388427
(4aS,9aS)-9a-hydroxy-3,4,4a,10-tetrahydro-2H-anthracene-1,9-dione
CID 134876374
(2aS,8aS)-8a-methyl-1,2,2a,8-tetrahydrocyclobuta[b]naphthalen-3-one
CID 10330073
(3S)-3-ethyl-3,4-dihydro-2H-isoquinolin-1-one
CID 92977970
1,2,9,9a-tetrahydrofluoren-3-one
CID 12514901
(2S)-2-cyclopentyl-2-(hydroxymethyl)-3H-inden-1-one
CID 90923684
3-morpholin-4-yl-3,4-dihydro-2H-isoquinolin-1-one
CID 167326828
pentacyclo[11.7.0.01,9.02,7.015,20]icosa-2,4,6,15,17,19-hexaene
CID 102574244
(3S)-3-phenyl-3,4-dihydro-2H-isoquinolin-1-one
CID 15416039
1-hydroxy-1,2,9,9a-tetrahydrofluoren-3-one
CID 143668942
spiro[2,4-dihydronaphthalene-3,1'-cyclopentane]-1-one
CID 176640105
(15R)-pentacyclo[13.7.0.01,9.02,7.017,22]docosa-2,4,6,17,19,21-hexaene
CID 171404171

Frequently Asked Questions

What is the IUPAC name of tetracyclo[10.4.0.02,6.06,10]hexadeca-1(16),2,12,14-tetraen-4-one?
The IUPAC name of tetracyclo[10.4.0.02,6.06,10]hexadeca-1(16),2,12,14-tetraen-4-one (CID 102288105) is tetracyclo[10.4.0.02,6.06,10]hexadeca-1(16),2,12,14-tetraen-4-one.
What is the SMILES notation for tetracyclo[10.4.0.02,6.06,10]hexadeca-1(16),2,12,14-tetraen-4-one?
The canonical SMILES for tetracyclo[10.4.0.02,6.06,10]hexadeca-1(16),2,12,14-tetraen-4-one is O=C1C=C2c3ccccc3CC3CCCC23C1.
What is the InChIKey of tetracyclo[10.4.0.02,6.06,10]hexadeca-1(16),2,12,14-tetraen-4-one?
The InChIKey is MHRVNILMAIXZRA-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H16O/c17-13-9-15-14-6-2-1-4-11(14)8-12-5-3-7-16(12,15)10-13/h1-2,4,6,9,12H,3,5,7-8,10H2.
What are the key properties of tetracyclo[10.4.0.02,6.06,10]hexadeca-1(16),2,12,14-tetraen-4-one?
tetracyclo[10.4.0.02,6.06,10]hexadeca-1(16),2,12,14-tetraen-4-one has a molecular weight of 224.30 g/mol, XLogP of 3.39, 0 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for tetracyclo[10.4.0.02,6.06,10]hexadeca-1(16),2,12,14-tetraen-4-one is sourced from PubChem (CID 102288105), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).