pentacyclo[9.3.1.12,6.14,8.19,13]octadeca-1,8-diene

C18H24 — CID 123346814

IUPACpentacyclo[9.3.1.12,6.14,8.19,13]octadeca-1,8-diene
SMILESC1C2=C3CC4CC(=C5CC1CC(C2)C5)CC(C3)C4
InChIInChI=1S/C18H24/c1-11-3-15-5-12(1)6-16(4-11)18-9-13-2-14(10-18)8-17(15)7-13/h11-14H,1-10H2/b17-15-,18-16-
InChIKeyDNYUBXUDNCIRCP-IQRFGFHNSA-N
MW240.39 g/mol
LogP5.01
Rot. Bonds

About pentacyclo[9.3.1.12,6.14,8.19,13]octadeca-1,8-diene

pentacyclo[9.3.1.12,6.14,8.19,13]octadeca-1,8-diene (PubChem CID 123346814) has the molecular formula C18H24 and a molecular weight of 240.39 g/mol. Its IUPAC name is pentacyclo[9.3.1.12,6.14,8.19,13]octadeca-1,8-diene.

Molecular Properties

Compound Namepentacyclo[9.3.1.12,6.14,8.19,13]octadeca-1,8-diene
PubChem CID123346814
Molecular FormulaC18H24
Molecular Weight240.39 g/mol
Exact Mass240.19
IUPAC Namepentacyclo[9.3.1.12,6.14,8.19,13]octadeca-1,8-diene
SMILESC1C2=C3CC4CC(=C5CC1CC(C2)C5)CC(C3)C4
InChIInChI=1S/C18H24/c1-11-3-15-5-12(1)6-16(4-11)18-9-13-2-14(10-18)8-17(15)7-13/h11-14H,1-10H2/b17-15-,18-16-
InChIKeyDNYUBXUDNCIRCP-IQRFGFHNSA-N
XLogP5.01
TPSA0.00 Ų
H-Bond Donors
H-Bond Acceptors
Rotatable Bonds
Heavy Atoms18
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500240.39
LogP ≤ 55.01
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[9.3.1.12,6.14,8.19,13]octadeca-1,8-diene?
The IUPAC name of pentacyclo[9.3.1.12,6.14,8.19,13]octadeca-1,8-diene (CID 123346814) is pentacyclo[9.3.1.12,6.14,8.19,13]octadeca-1,8-diene.
What is the SMILES notation for pentacyclo[9.3.1.12,6.14,8.19,13]octadeca-1,8-diene?
The canonical SMILES for pentacyclo[9.3.1.12,6.14,8.19,13]octadeca-1,8-diene is C1C2=C3CC4CC(=C5CC1CC(C2)C5)CC(C3)C4.
What is the InChIKey of pentacyclo[9.3.1.12,6.14,8.19,13]octadeca-1,8-diene?
The InChIKey is DNYUBXUDNCIRCP-IQRFGFHNSA-N. The full InChI is InChI=1S/C18H24/c1-11-3-15-5-12(1)6-16(4-11)18-9-13-2-14(10-18)8-17(15)7-13/h11-14H,1-10H2/b17-15-,18-16-.
What are the key properties of pentacyclo[9.3.1.12,6.14,8.19,13]octadeca-1,8-diene?
pentacyclo[9.3.1.12,6.14,8.19,13]octadeca-1,8-diene has a molecular weight of 240.39 g/mol, XLogP of 5.01, 0 rotatable bonds, 0 hydrogen bond donors, and 0 hydrogen bond acceptors.
Where does this data come from?
All data for pentacyclo[9.3.1.12,6.14,8.19,13]octadeca-1,8-diene is sourced from PubChem (CID 123346814), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).