nonacyclo[10.10.1.13,10.15,8.116,19.02,11.04,9.013,22.015,20]hexacos-17-ene

C26H34 — CID 54145786

IUPACnonacyclo[10.10.1.13,10.15,8.116,19.02,11.04,9.013,22.015,20]hexacos-17-ene
SMILESC1=CC2CC1C1CC3C(CC21)C1CC3C2C3CC(C4C5CCC(C5)C34)C12
InChIInChI=1S/C26H34/c1-2-12-5-11(1)15-7-17-18(8-16(12)15)20-9-19(17)25-21-10-22(26(20)25)24-14-4-3-13(6-14)23(21)24/h1-2,11-26H,3-10H2
InChIKeyOEGZKHKPRZOKIC-UHFFFAOYSA-N
MW346.56 g/mol
LogP5.64
Rot. Bonds

About nonacyclo[10.10.1.13,10.15,8.116,19.02,11.04,9.013,22.015,20]hexacos-17-ene

nonacyclo[10.10.1.13,10.15,8.116,19.02,11.04,9.013,22.015,20]hexacos-17-ene (PubChem CID 54145786) has the molecular formula C26H34 and a molecular weight of 346.56 g/mol. Its IUPAC name is nonacyclo[10.10.1.13,10.15,8.116,19.02,11.04,9.013,22.015,20]hexacos-17-ene.

Molecular Properties

Compound Namenonacyclo[10.10.1.13,10.15,8.116,19.02,11.04,9.013,22.015,20]hexacos-17-ene
PubChem CID54145786
Molecular FormulaC26H34
Molecular Weight346.56 g/mol
Exact Mass346.27
IUPAC Namenonacyclo[10.10.1.13,10.15,8.116,19.02,11.04,9.013,22.015,20]hexacos-17-ene
SMILESC1=CC2CC1C1CC3C(CC21)C1CC3C2C3CC(C4C5CCC(C5)C34)C12
InChIInChI=1S/C26H34/c1-2-12-5-11(1)15-7-17-18(8-16(12)15)20-9-19(17)25-21-10-22(26(20)25)24-14-4-3-13(6-14)23(21)24/h1-2,11-26H,3-10H2
InChIKeyOEGZKHKPRZOKIC-UHFFFAOYSA-N
XLogP5.64
TPSA0.00 Ų
H-Bond Donors
H-Bond Acceptors
Rotatable Bonds
Heavy Atoms26
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500346.56
LogP ≤ 55.64
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 100

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'cyclooctane_1', 'substructure': 'N/A'}, {'alert_name': 'isolated_alkene', 'substructure': 'N/A'}

Analyze nonacyclo[10.10.1.13,10.15,8.116,19.02,11.04,9.013,22.015,20]hexacos-17-ene with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Frequently Asked Questions

What is the IUPAC name of nonacyclo[10.10.1.13,10.15,8.116,19.02,11.04,9.013,22.015,20]hexacos-17-ene?
The IUPAC name of nonacyclo[10.10.1.13,10.15,8.116,19.02,11.04,9.013,22.015,20]hexacos-17-ene (CID 54145786) is nonacyclo[10.10.1.13,10.15,8.116,19.02,11.04,9.013,22.015,20]hexacos-17-ene.
What is the SMILES notation for nonacyclo[10.10.1.13,10.15,8.116,19.02,11.04,9.013,22.015,20]hexacos-17-ene?
The canonical SMILES for nonacyclo[10.10.1.13,10.15,8.116,19.02,11.04,9.013,22.015,20]hexacos-17-ene is C1=CC2CC1C1CC3C(CC21)C1CC3C2C3CC(C4C5CCC(C5)C34)C12.
What is the InChIKey of nonacyclo[10.10.1.13,10.15,8.116,19.02,11.04,9.013,22.015,20]hexacos-17-ene?
The InChIKey is OEGZKHKPRZOKIC-UHFFFAOYSA-N. The full InChI is InChI=1S/C26H34/c1-2-12-5-11(1)15-7-17-18(8-16(12)15)20-9-19(17)25-21-10-22(26(20)25)24-14-4-3-13(6-14)23(21)24/h1-2,11-26H,3-10H2.
What are the key properties of nonacyclo[10.10.1.13,10.15,8.116,19.02,11.04,9.013,22.015,20]hexacos-17-ene?
nonacyclo[10.10.1.13,10.15,8.116,19.02,11.04,9.013,22.015,20]hexacos-17-ene has a molecular weight of 346.56 g/mol, XLogP of 5.64, 0 rotatable bonds, 0 hydrogen bond donors, and 0 hydrogen bond acceptors.
Where does this data come from?
All data for nonacyclo[10.10.1.13,10.15,8.116,19.02,11.04,9.013,22.015,20]hexacos-17-ene is sourced from PubChem (CID 54145786), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).