15-tetracyclo[8.6.0.02,7.011,16]hexadeca-1(10),2,4,6,8,11(16),12,14-octaenyl formate

C17H10O2 — CID 91073477

IUPAC15-tetracyclo[8.6.0.02,7.011,16]hexadeca-1(10),2,4,6,8,11(16),12,14-octaenyl formate
SMILESO=COc1cccc2c1-c1c-2ccc2ccccc12
InChIInChI=1S/C17H10O2/c18-10-19-15-7-3-6-13-14-9-8-11-4-1-2-5-12(11)16(14)17(13)15/h1-10H
InChIKeyLGJVFHHYLUBDCB-UHFFFAOYSA-N
MW246.27 g/mol
LogP4.02
Rot. Bonds2

About 15-tetracyclo[8.6.0.02,7.011,16]hexadeca-1(10),2,4,6,8,11(16),12,14-octaenyl formate

15-tetracyclo[8.6.0.02,7.011,16]hexadeca-1(10),2,4,6,8,11(16),12,14-octaenyl formate (PubChem CID 91073477) has the molecular formula C17H10O2 and a molecular weight of 246.27 g/mol. Its IUPAC name is 15-tetracyclo[8.6.0.02,7.011,16]hexadeca-1(10),2,4,6,8,11(16),12,14-octaenyl formate.

Molecular Properties

Compound Name15-tetracyclo[8.6.0.02,7.011,16]hexadeca-1(10),2,4,6,8,11(16),12,14-octaenyl formate
PubChem CID91073477
Molecular FormulaC17H10O2
Molecular Weight246.27 g/mol
Exact Mass246.07
IUPAC Name15-tetracyclo[8.6.0.02,7.011,16]hexadeca-1(10),2,4,6,8,11(16),12,14-octaenyl formate
SMILESO=COc1cccc2c1-c1c-2ccc2ccccc12
InChIInChI=1S/C17H10O2/c18-10-19-15-7-3-6-13-14-9-8-11-4-1-2-5-12(11)16(14)17(13)15/h1-10H
InChIKeyLGJVFHHYLUBDCB-UHFFFAOYSA-N
XLogP4.02
TPSA26.30 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500246.27
LogP ≤ 54.02
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'aldehyde', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of 15-tetracyclo[8.6.0.02,7.011,16]hexadeca-1(10),2,4,6,8,11(16),12,14-octaenyl formate?
The IUPAC name of 15-tetracyclo[8.6.0.02,7.011,16]hexadeca-1(10),2,4,6,8,11(16),12,14-octaenyl formate (CID 91073477) is 15-tetracyclo[8.6.0.02,7.011,16]hexadeca-1(10),2,4,6,8,11(16),12,14-octaenyl formate.
What is the SMILES notation for 15-tetracyclo[8.6.0.02,7.011,16]hexadeca-1(10),2,4,6,8,11(16),12,14-octaenyl formate?
The canonical SMILES for 15-tetracyclo[8.6.0.02,7.011,16]hexadeca-1(10),2,4,6,8,11(16),12,14-octaenyl formate is O=COc1cccc2c1-c1c-2ccc2ccccc12.
What is the InChIKey of 15-tetracyclo[8.6.0.02,7.011,16]hexadeca-1(10),2,4,6,8,11(16),12,14-octaenyl formate?
The InChIKey is LGJVFHHYLUBDCB-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H10O2/c18-10-19-15-7-3-6-13-14-9-8-11-4-1-2-5-12(11)16(14)17(13)15/h1-10H.
What are the key properties of 15-tetracyclo[8.6.0.02,7.011,16]hexadeca-1(10),2,4,6,8,11(16),12,14-octaenyl formate?
15-tetracyclo[8.6.0.02,7.011,16]hexadeca-1(10),2,4,6,8,11(16),12,14-octaenyl formate has a molecular weight of 246.27 g/mol, XLogP of 4.02, 2 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 15-tetracyclo[8.6.0.02,7.011,16]hexadeca-1(10),2,4,6,8,11(16),12,14-octaenyl formate is sourced from PubChem (CID 91073477), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).