tetracyclo[7.7.2.13,15.17,11]icosa-1(16),2,7,9,11(20),15(19)-hexaene

C20H22 — CID 10934287

IUPACtetracyclo[7.7.2.13,15.17,11]icosa-1(16),2,7,9,11(20),15(19)-hexaene
SMILESc1c2cc3cc1CCCc1cc(cc(c1)CC3)CCC2
InChIInChI=1S/C20H22/c1-3-15-9-17-5-2-6-18-10-16(4-1)12-20(14-18)8-7-19(11-15)13-17/h9-14H,1-8H2
InChIKeyWPBYTPJODLQDJN-UHFFFAOYSA-N
MW262.40 g/mol
LogP4.45
Rot. Bonds

About tetracyclo[7.7.2.13,15.17,11]icosa-1(16),2,7,9,11(20),15(19)-hexaene

tetracyclo[7.7.2.13,15.17,11]icosa-1(16),2,7,9,11(20),15(19)-hexaene (PubChem CID 10934287) has the molecular formula C20H22 and a molecular weight of 262.40 g/mol. Its IUPAC name is tetracyclo[7.7.2.13,15.17,11]icosa-1(16),2,7,9,11(20),15(19)-hexaene.

Molecular Properties

Compound Nametetracyclo[7.7.2.13,15.17,11]icosa-1(16),2,7,9,11(20),15(19)-hexaene
PubChem CID10934287
Molecular FormulaC20H22
Molecular Weight262.40 g/mol
Exact Mass262.17
IUPAC Nametetracyclo[7.7.2.13,15.17,11]icosa-1(16),2,7,9,11(20),15(19)-hexaene
SMILESc1c2cc3cc1CCCc1cc(cc(c1)CC3)CCC2
InChIInChI=1S/C20H22/c1-3-15-9-17-5-2-6-18-10-16(4-1)12-20(14-18)8-7-19(11-15)13-17/h9-14H,1-8H2
InChIKeyWPBYTPJODLQDJN-UHFFFAOYSA-N
XLogP4.45
TPSA0.00 Ų
H-Bond Donors
H-Bond Acceptors
Rotatable Bonds
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500262.40
LogP ≤ 54.45
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 100

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Frequently Asked Questions

What is the IUPAC name of tetracyclo[7.7.2.13,15.17,11]icosa-1(16),2,7,9,11(20),15(19)-hexaene?
The IUPAC name of tetracyclo[7.7.2.13,15.17,11]icosa-1(16),2,7,9,11(20),15(19)-hexaene (CID 10934287) is tetracyclo[7.7.2.13,15.17,11]icosa-1(16),2,7,9,11(20),15(19)-hexaene.
What is the SMILES notation for tetracyclo[7.7.2.13,15.17,11]icosa-1(16),2,7,9,11(20),15(19)-hexaene?
The canonical SMILES for tetracyclo[7.7.2.13,15.17,11]icosa-1(16),2,7,9,11(20),15(19)-hexaene is c1c2cc3cc1CCCc1cc(cc(c1)CC3)CCC2.
What is the InChIKey of tetracyclo[7.7.2.13,15.17,11]icosa-1(16),2,7,9,11(20),15(19)-hexaene?
The InChIKey is WPBYTPJODLQDJN-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H22/c1-3-15-9-17-5-2-6-18-10-16(4-1)12-20(14-18)8-7-19(11-15)13-17/h9-14H,1-8H2.
What are the key properties of tetracyclo[7.7.2.13,15.17,11]icosa-1(16),2,7,9,11(20),15(19)-hexaene?
tetracyclo[7.7.2.13,15.17,11]icosa-1(16),2,7,9,11(20),15(19)-hexaene has a molecular weight of 262.40 g/mol, XLogP of 4.45, 0 rotatable bonds, 0 hydrogen bond donors, and 0 hydrogen bond acceptors.
Where does this data come from?
All data for tetracyclo[7.7.2.13,15.17,11]icosa-1(16),2,7,9,11(20),15(19)-hexaene is sourced from PubChem (CID 10934287), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).