pentacyclo[12.2.1.16,9.02,13.05,10]octadeca-7,15-diene

C18H24 — CID 23448609

IUPACpentacyclo[12.2.1.16,9.02,13.05,10]octadeca-7,15-diene
SMILESC1=CC2CC1C1CCC3C4C=CC(C4)C3CCC21
InChIInChI=1S/C18H24/c1-2-12-9-11(1)15-5-6-17-13-3-4-14(10-13)18(17)8-7-16(12)15/h1-4,11-18H,5-10H2
InChIKeyUJTWNCUPDNMVGV-UHFFFAOYSA-N
MW240.39 g/mol
LogP4.44
Rot. Bonds

About pentacyclo[12.2.1.16,9.02,13.05,10]octadeca-7,15-diene

pentacyclo[12.2.1.16,9.02,13.05,10]octadeca-7,15-diene (PubChem CID 23448609) has the molecular formula C18H24 and a molecular weight of 240.39 g/mol. Its IUPAC name is pentacyclo[12.2.1.16,9.02,13.05,10]octadeca-7,15-diene.

Molecular Properties

Compound Namepentacyclo[12.2.1.16,9.02,13.05,10]octadeca-7,15-diene
PubChem CID23448609
Molecular FormulaC18H24
Molecular Weight240.39 g/mol
Exact Mass240.19
IUPAC Namepentacyclo[12.2.1.16,9.02,13.05,10]octadeca-7,15-diene
SMILESC1=CC2CC1C1CCC3C4C=CC(C4)C3CCC21
InChIInChI=1S/C18H24/c1-2-12-9-11(1)15-5-6-17-13-3-4-14(10-13)18(17)8-7-16(12)15/h1-4,11-18H,5-10H2
InChIKeyUJTWNCUPDNMVGV-UHFFFAOYSA-N
XLogP4.44
TPSA0.00 Ų
H-Bond Donors
H-Bond Acceptors
Rotatable Bonds
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500240.39
LogP ≤ 54.44
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 100

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of pentacyclo[12.2.1.16,9.02,13.05,10]octadeca-7,15-diene?
The IUPAC name of pentacyclo[12.2.1.16,9.02,13.05,10]octadeca-7,15-diene (CID 23448609) is pentacyclo[12.2.1.16,9.02,13.05,10]octadeca-7,15-diene.
What is the SMILES notation for pentacyclo[12.2.1.16,9.02,13.05,10]octadeca-7,15-diene?
The canonical SMILES for pentacyclo[12.2.1.16,9.02,13.05,10]octadeca-7,15-diene is C1=CC2CC1C1CCC3C4C=CC(C4)C3CCC21.
What is the InChIKey of pentacyclo[12.2.1.16,9.02,13.05,10]octadeca-7,15-diene?
The InChIKey is UJTWNCUPDNMVGV-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H24/c1-2-12-9-11(1)15-5-6-17-13-3-4-14(10-13)18(17)8-7-16(12)15/h1-4,11-18H,5-10H2.
What are the key properties of pentacyclo[12.2.1.16,9.02,13.05,10]octadeca-7,15-diene?
pentacyclo[12.2.1.16,9.02,13.05,10]octadeca-7,15-diene has a molecular weight of 240.39 g/mol, XLogP of 4.44, 0 rotatable bonds, 0 hydrogen bond donors, and 0 hydrogen bond acceptors.
Where does this data come from?
All data for pentacyclo[12.2.1.16,9.02,13.05,10]octadeca-7,15-diene is sourced from PubChem (CID 23448609), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).