tricyclo[9.3.0.03,7]tetradeca-1(14),4,6,12-tetraene

C14H16 — CID 90904162

IUPACtricyclo[9.3.0.03,7]tetradeca-1(14),4,6,12-tetraene
SMILESC1=CC2CCCC3=CC=CC3CC2=C1
InChIInChI=1S/C14H16/c1-4-11-6-2-8-13(11)10-14-9-3-7-12(14)5-1/h2-3,6-9,11,14H,1,4-5,10H2
InChIKeyFHOWDASPTZBLFI-UHFFFAOYSA-N
MW184.28 g/mol
LogP3.79
Rot. Bonds

About tricyclo[9.3.0.03,7]tetradeca-1(14),4,6,12-tetraene

tricyclo[9.3.0.03,7]tetradeca-1(14),4,6,12-tetraene (PubChem CID 90904162) has the molecular formula C14H16 and a molecular weight of 184.28 g/mol. Its IUPAC name is tricyclo[9.3.0.03,7]tetradeca-1(14),4,6,12-tetraene.

Molecular Properties

Compound Nametricyclo[9.3.0.03,7]tetradeca-1(14),4,6,12-tetraene
PubChem CID90904162
Molecular FormulaC14H16
Molecular Weight184.28 g/mol
Exact Mass184.13
IUPAC Nametricyclo[9.3.0.03,7]tetradeca-1(14),4,6,12-tetraene
SMILESC1=CC2CCCC3=CC=CC3CC2=C1
InChIInChI=1S/C14H16/c1-4-11-6-2-8-13(11)10-14-9-3-7-12(14)5-1/h2-3,6-9,11,14H,1,4-5,10H2
InChIKeyFHOWDASPTZBLFI-UHFFFAOYSA-N
XLogP3.79
TPSA0.00 Ų
H-Bond Donors
H-Bond Acceptors
Rotatable Bonds
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500184.28
LogP ≤ 53.79
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 100

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Frequently Asked Questions

What is the IUPAC name of tricyclo[9.3.0.03,7]tetradeca-1(14),4,6,12-tetraene?
The IUPAC name of tricyclo[9.3.0.03,7]tetradeca-1(14),4,6,12-tetraene (CID 90904162) is tricyclo[9.3.0.03,7]tetradeca-1(14),4,6,12-tetraene.
What is the SMILES notation for tricyclo[9.3.0.03,7]tetradeca-1(14),4,6,12-tetraene?
The canonical SMILES for tricyclo[9.3.0.03,7]tetradeca-1(14),4,6,12-tetraene is C1=CC2CCCC3=CC=CC3CC2=C1.
What is the InChIKey of tricyclo[9.3.0.03,7]tetradeca-1(14),4,6,12-tetraene?
The InChIKey is FHOWDASPTZBLFI-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H16/c1-4-11-6-2-8-13(11)10-14-9-3-7-12(14)5-1/h2-3,6-9,11,14H,1,4-5,10H2.
What are the key properties of tricyclo[9.3.0.03,7]tetradeca-1(14),4,6,12-tetraene?
tricyclo[9.3.0.03,7]tetradeca-1(14),4,6,12-tetraene has a molecular weight of 184.28 g/mol, XLogP of 3.79, 0 rotatable bonds, 0 hydrogen bond donors, and 0 hydrogen bond acceptors.
Where does this data come from?
All data for tricyclo[9.3.0.03,7]tetradeca-1(14),4,6,12-tetraene is sourced from PubChem (CID 90904162), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).