tricyclo[10.4.0.04,9]hexadeca-1(12),2,4,6,8,10-hexaene

C16H16 — CID 154168790

IUPACtricyclo[10.4.0.04,9]hexadeca-1(12),2,4,6,8,10-hexaene
SMILESC1=Cc2ccccc2C=CC2=C1CCCC2
InChIInChI=1S/C16H16/c1-2-6-14-11-12-16-8-4-3-7-15(16)10-9-13(14)5-1/h1-2,5-6,9-12H,3-4,7-8H2
InChIKeyHTHSXEALAQCWSH-UHFFFAOYSA-N
MW208.30 g/mol
LogP4.60
Rot. Bonds

About tricyclo[10.4.0.04,9]hexadeca-1(12),2,4,6,8,10-hexaene

tricyclo[10.4.0.04,9]hexadeca-1(12),2,4,6,8,10-hexaene (PubChem CID 154168790) has the molecular formula C16H16 and a molecular weight of 208.30 g/mol. Its IUPAC name is tricyclo[10.4.0.04,9]hexadeca-1(12),2,4,6,8,10-hexaene.

Molecular Properties

Compound Nametricyclo[10.4.0.04,9]hexadeca-1(12),2,4,6,8,10-hexaene
PubChem CID154168790
Molecular FormulaC16H16
Molecular Weight208.30 g/mol
Exact Mass208.13
IUPAC Nametricyclo[10.4.0.04,9]hexadeca-1(12),2,4,6,8,10-hexaene
SMILESC1=Cc2ccccc2C=CC2=C1CCCC2
InChIInChI=1S/C16H16/c1-2-6-14-11-12-16-8-4-3-7-15(16)10-9-13(14)5-1/h1-2,5-6,9-12H,3-4,7-8H2
InChIKeyHTHSXEALAQCWSH-UHFFFAOYSA-N
XLogP4.60
TPSA0.00 Ų
H-Bond Donors
H-Bond Acceptors
Rotatable Bonds
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500208.30
LogP ≤ 54.60
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 100

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Related Compounds

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CID 145199366
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CID 59575046
8,9-diazatricyclo[10.4.0.02,7]hexadeca-1(16),2(7),8,10,12,14-hexaene
CID 70139204
7,8,9,10-tetrahydrobenzo[8]annulene
CID 54518791
bicyclo[4.2.0]octa-1,3,5,7-tetraene;prop-1-ene
CID 174841145
azanylidyneoxidanium;bicyclo[4.2.0]octa-1,3,5,7-tetraene;carbon monoxide;iron
CID 134900349
1,2,3,4-tetrahydronaphthalene
CID 174531863
8,11-dihydro-7H-benzo[b][1]benzazepine
CID 15390653
(5E)-7,8,9,10,11,12-hexahydrobenzo[10]annulene
CID 134982097
azane;1,2,3,4-tetrahydronaphthalene
CID 22598116
11-methylbenzo[b][1]benzarsepine
CID 177485802
ethane;1,2,3,4,5,8-hexahydroheptalene
CID 143157913

Frequently Asked Questions

What is the IUPAC name of tricyclo[10.4.0.04,9]hexadeca-1(12),2,4,6,8,10-hexaene?
The IUPAC name of tricyclo[10.4.0.04,9]hexadeca-1(12),2,4,6,8,10-hexaene (CID 154168790) is tricyclo[10.4.0.04,9]hexadeca-1(12),2,4,6,8,10-hexaene.
What is the SMILES notation for tricyclo[10.4.0.04,9]hexadeca-1(12),2,4,6,8,10-hexaene?
The canonical SMILES for tricyclo[10.4.0.04,9]hexadeca-1(12),2,4,6,8,10-hexaene is C1=Cc2ccccc2C=CC2=C1CCCC2.
What is the InChIKey of tricyclo[10.4.0.04,9]hexadeca-1(12),2,4,6,8,10-hexaene?
The InChIKey is HTHSXEALAQCWSH-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H16/c1-2-6-14-11-12-16-8-4-3-7-15(16)10-9-13(14)5-1/h1-2,5-6,9-12H,3-4,7-8H2.
What are the key properties of tricyclo[10.4.0.04,9]hexadeca-1(12),2,4,6,8,10-hexaene?
tricyclo[10.4.0.04,9]hexadeca-1(12),2,4,6,8,10-hexaene has a molecular weight of 208.30 g/mol, XLogP of 4.60, 0 rotatable bonds, 0 hydrogen bond donors, and 0 hydrogen bond acceptors.
Where does this data come from?
All data for tricyclo[10.4.0.04,9]hexadeca-1(12),2,4,6,8,10-hexaene is sourced from PubChem (CID 154168790), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).