tricyclo[10.3.1.14,8]heptadeca-1(15),4,7,12-tetraene-6,14,16,17-tetrone

C17H14O4 — CID 10107799

IUPACtricyclo[10.3.1.14,8]heptadeca-1(15),4,7,12-tetraene-6,14,16,17-tetrone
SMILESO=C1C=C2CCCC3=CC(=O)C=C(CCC(=C1)C2=O)C3=O
InChIInChI=1S/C17H14O4/c18-14-6-10-2-1-3-11-7-15(19)9-13(17(11)21)5-4-12(8-14)16(10)20/h6-9H,1-5H2
InChIKeyVZHJGJXEGMOARB-UHFFFAOYSA-N
MW282.30 g/mol
LogP1.96
Rot. Bonds

About tricyclo[10.3.1.14,8]heptadeca-1(15),4,7,12-tetraene-6,14,16,17-tetrone

tricyclo[10.3.1.14,8]heptadeca-1(15),4,7,12-tetraene-6,14,16,17-tetrone (PubChem CID 10107799) has the molecular formula C17H14O4 and a molecular weight of 282.30 g/mol. Its IUPAC name is tricyclo[10.3.1.14,8]heptadeca-1(15),4,7,12-tetraene-6,14,16,17-tetrone.

Molecular Properties

Compound Nametricyclo[10.3.1.14,8]heptadeca-1(15),4,7,12-tetraene-6,14,16,17-tetrone
PubChem CID10107799
Molecular FormulaC17H14O4
Molecular Weight282.30 g/mol
Exact Mass282.09
IUPAC Nametricyclo[10.3.1.14,8]heptadeca-1(15),4,7,12-tetraene-6,14,16,17-tetrone
SMILESO=C1C=C2CCCC3=CC(=O)C=C(CCC(=C1)C2=O)C3=O
InChIInChI=1S/C17H14O4/c18-14-6-10-2-1-3-11-7-15(19)9-13(17(11)21)5-4-12(8-14)16(10)20/h6-9H,1-5H2
InChIKeyVZHJGJXEGMOARB-UHFFFAOYSA-N
XLogP1.96
TPSA68.28 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500282.30
LogP ≤ 51.96
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'quinone_A(370)', 'substructure': 'N/A'}, {'alert_name': 'chinone_1', 'substructure': 'N/A'}

Analyze tricyclo[10.3.1.14,8]heptadeca-1(15),4,7,12-tetraene-6,14,16,17-tetrone with MolForge

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Related Compounds

tricyclo[13.3.1.14,8]icosa-1(18),4,7,15-tetraene-6,17,19,20-tetrone
CID 15759179
5,6-dihydro-4H-pentalen-2-one
CID 12679298
19-azatricyclo[12.3.1.16,9]nonadeca-1(17),6,8,14-tetraene-16,18-dione
CID 102185156
7,7-dimethyl-1,2,3,6-tetrahydroazulen-5-one
CID 123703518
(1Z,25Z)-9,18-dioxatetracyclo[24.3.1.03,8.019,24]triaconta-1,3,5,7,19,21,23,25-octaen-30-one
CID 177476472
7-chloro-1,4,5,6-tetrahydroindol-2-one
CID 12813897
(3-oxocyclohexen-1-yl) methanesulfonate
CID 12641942
3,9,29,35-tetraoxaundecacyclo[35.15.7.711,27.117,21.143,47.154,58.02,49.010,15.023,28.036,41.163,67]heptaconta-1(52),2(49),10(15),11,13,17,20,23(28),24,26,36(41),37,39,43,46,50,54,57,63,66-icosaene-19,45,56,60,61,65,69,70-octone
CID 101139016
(10E)-2,4,5,6-tetramethyl-2-azabicyclo[16.3.1]docosa-1(21),4,6,10,18-pentaene-3,20,22-trione
CID 173194772
2-(15,17-dimethoxy-18-oxo-7-tricyclo[11.3.1.15,9]octadeca-1(16),5,8,13(17),14-pentaenylidene)propanedinitrile
CID 15731727
10,10-dimethyltricyclo[7.1.1.03,7]undeca-2,7-diene
CID 91198196
3-(2,4,6-trimethylphenyl)cyclohex-2-en-1-one
CID 83390782

Frequently Asked Questions

What is the IUPAC name of tricyclo[10.3.1.14,8]heptadeca-1(15),4,7,12-tetraene-6,14,16,17-tetrone?
The IUPAC name of tricyclo[10.3.1.14,8]heptadeca-1(15),4,7,12-tetraene-6,14,16,17-tetrone (CID 10107799) is tricyclo[10.3.1.14,8]heptadeca-1(15),4,7,12-tetraene-6,14,16,17-tetrone.
What is the SMILES notation for tricyclo[10.3.1.14,8]heptadeca-1(15),4,7,12-tetraene-6,14,16,17-tetrone?
The canonical SMILES for tricyclo[10.3.1.14,8]heptadeca-1(15),4,7,12-tetraene-6,14,16,17-tetrone is O=C1C=C2CCCC3=CC(=O)C=C(CCC(=C1)C2=O)C3=O.
What is the InChIKey of tricyclo[10.3.1.14,8]heptadeca-1(15),4,7,12-tetraene-6,14,16,17-tetrone?
The InChIKey is VZHJGJXEGMOARB-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H14O4/c18-14-6-10-2-1-3-11-7-15(19)9-13(17(11)21)5-4-12(8-14)16(10)20/h6-9H,1-5H2.
What are the key properties of tricyclo[10.3.1.14,8]heptadeca-1(15),4,7,12-tetraene-6,14,16,17-tetrone?
tricyclo[10.3.1.14,8]heptadeca-1(15),4,7,12-tetraene-6,14,16,17-tetrone has a molecular weight of 282.30 g/mol, XLogP of 1.96, 0 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for tricyclo[10.3.1.14,8]heptadeca-1(15),4,7,12-tetraene-6,14,16,17-tetrone is sourced from PubChem (CID 10107799), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).