tetracyclo[9.7.0.03,9.012,17]octadeca-1(11),2,9,12,14,16-hexaene

C18H18 — CID 90965894

IUPACtetracyclo[9.7.0.03,9.012,17]octadeca-1(11),2,9,12,14,16-hexaene
SMILESc1ccc2c(c1)Cc1cc3c(cc1-2)CCCCC3
InChIInChI=1S/C18H18/c1-2-6-13-10-16-11-15-8-4-5-9-17(15)18(16)12-14(13)7-3-1/h4-5,8-10,12H,1-3,6-7,11H2
InChIKeyAXVWLTJWTPCQLZ-UHFFFAOYSA-N
MW234.34 g/mol
LogP4.53
Rot. Bonds

About tetracyclo[9.7.0.03,9.012,17]octadeca-1(11),2,9,12,14,16-hexaene

tetracyclo[9.7.0.03,9.012,17]octadeca-1(11),2,9,12,14,16-hexaene (PubChem CID 90965894) has the molecular formula C18H18 and a molecular weight of 234.34 g/mol. Its IUPAC name is tetracyclo[9.7.0.03,9.012,17]octadeca-1(11),2,9,12,14,16-hexaene.

Molecular Properties

Compound Nametetracyclo[9.7.0.03,9.012,17]octadeca-1(11),2,9,12,14,16-hexaene
PubChem CID90965894
Molecular FormulaC18H18
Molecular Weight234.34 g/mol
Exact Mass234.14
IUPAC Nametetracyclo[9.7.0.03,9.012,17]octadeca-1(11),2,9,12,14,16-hexaene
SMILESc1ccc2c(c1)Cc1cc3c(cc1-2)CCCCC3
InChIInChI=1S/C18H18/c1-2-6-13-10-16-11-15-8-4-5-9-17(15)18(16)12-14(13)7-3-1/h4-5,8-10,12H,1-3,6-7,11H2
InChIKeyAXVWLTJWTPCQLZ-UHFFFAOYSA-N
XLogP4.53
TPSA0.00 Ų
H-Bond Donors
H-Bond Acceptors
Rotatable Bonds
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500234.34
LogP ≤ 54.53
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 100

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Frequently Asked Questions

What is the IUPAC name of tetracyclo[9.7.0.03,9.012,17]octadeca-1(11),2,9,12,14,16-hexaene?
The IUPAC name of tetracyclo[9.7.0.03,9.012,17]octadeca-1(11),2,9,12,14,16-hexaene (CID 90965894) is tetracyclo[9.7.0.03,9.012,17]octadeca-1(11),2,9,12,14,16-hexaene.
What is the SMILES notation for tetracyclo[9.7.0.03,9.012,17]octadeca-1(11),2,9,12,14,16-hexaene?
The canonical SMILES for tetracyclo[9.7.0.03,9.012,17]octadeca-1(11),2,9,12,14,16-hexaene is c1ccc2c(c1)Cc1cc3c(cc1-2)CCCCC3.
What is the InChIKey of tetracyclo[9.7.0.03,9.012,17]octadeca-1(11),2,9,12,14,16-hexaene?
The InChIKey is AXVWLTJWTPCQLZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H18/c1-2-6-13-10-16-11-15-8-4-5-9-17(15)18(16)12-14(13)7-3-1/h4-5,8-10,12H,1-3,6-7,11H2.
What are the key properties of tetracyclo[9.7.0.03,9.012,17]octadeca-1(11),2,9,12,14,16-hexaene?
tetracyclo[9.7.0.03,9.012,17]octadeca-1(11),2,9,12,14,16-hexaene has a molecular weight of 234.34 g/mol, XLogP of 4.53, 0 rotatable bonds, 0 hydrogen bond donors, and 0 hydrogen bond acceptors.
Where does this data come from?
All data for tetracyclo[9.7.0.03,9.012,17]octadeca-1(11),2,9,12,14,16-hexaene is sourced from PubChem (CID 90965894), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).