tetracyclo[10.4.0.02,4.05,10]hexadeca-1(16),5,7,9,12,14-hexaene

C16H14 — CID 18362646

IUPACtetracyclo[10.4.0.02,4.05,10]hexadeca-1(16),5,7,9,12,14-hexaene
SMILESc1ccc2c(c1)Cc1ccccc1C1CC21
InChIInChI=1S/C16H14/c1-3-7-13-11(5-1)9-12-6-2-4-8-14(12)16-10-15(13)16/h1-8,15-16H,9-10H2
InChIKeyQNIPMVKBHLRPAG-UHFFFAOYSA-N
MW206.29 g/mol
LogP3.86
Rot. Bonds

About tetracyclo[10.4.0.02,4.05,10]hexadeca-1(16),5,7,9,12,14-hexaene

tetracyclo[10.4.0.02,4.05,10]hexadeca-1(16),5,7,9,12,14-hexaene (PubChem CID 18362646) has the molecular formula C16H14 and a molecular weight of 206.29 g/mol. Its IUPAC name is tetracyclo[10.4.0.02,4.05,10]hexadeca-1(16),5,7,9,12,14-hexaene.

Molecular Properties

Compound Nametetracyclo[10.4.0.02,4.05,10]hexadeca-1(16),5,7,9,12,14-hexaene
PubChem CID18362646
Molecular FormulaC16H14
Molecular Weight206.29 g/mol
Exact Mass206.11
IUPAC Nametetracyclo[10.4.0.02,4.05,10]hexadeca-1(16),5,7,9,12,14-hexaene
SMILESc1ccc2c(c1)Cc1ccccc1C1CC21
InChIInChI=1S/C16H14/c1-3-7-13-11(5-1)9-12-6-2-4-8-14(12)16-10-15(13)16/h1-8,15-16H,9-10H2
InChIKeyQNIPMVKBHLRPAG-UHFFFAOYSA-N
XLogP3.86
TPSA0.00 Ų
H-Bond Donors
H-Bond Acceptors
Rotatable Bonds
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500206.29
LogP ≤ 53.86
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 100

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Frequently Asked Questions

What is the IUPAC name of tetracyclo[10.4.0.02,4.05,10]hexadeca-1(16),5,7,9,12,14-hexaene?
The IUPAC name of tetracyclo[10.4.0.02,4.05,10]hexadeca-1(16),5,7,9,12,14-hexaene (CID 18362646) is tetracyclo[10.4.0.02,4.05,10]hexadeca-1(16),5,7,9,12,14-hexaene.
What is the SMILES notation for tetracyclo[10.4.0.02,4.05,10]hexadeca-1(16),5,7,9,12,14-hexaene?
The canonical SMILES for tetracyclo[10.4.0.02,4.05,10]hexadeca-1(16),5,7,9,12,14-hexaene is c1ccc2c(c1)Cc1ccccc1C1CC21.
What is the InChIKey of tetracyclo[10.4.0.02,4.05,10]hexadeca-1(16),5,7,9,12,14-hexaene?
The InChIKey is QNIPMVKBHLRPAG-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H14/c1-3-7-13-11(5-1)9-12-6-2-4-8-14(12)16-10-15(13)16/h1-8,15-16H,9-10H2.
What are the key properties of tetracyclo[10.4.0.02,4.05,10]hexadeca-1(16),5,7,9,12,14-hexaene?
tetracyclo[10.4.0.02,4.05,10]hexadeca-1(16),5,7,9,12,14-hexaene has a molecular weight of 206.29 g/mol, XLogP of 3.86, 0 rotatable bonds, 0 hydrogen bond donors, and 0 hydrogen bond acceptors.
Where does this data come from?
All data for tetracyclo[10.4.0.02,4.05,10]hexadeca-1(16),5,7,9,12,14-hexaene is sourced from PubChem (CID 18362646), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).