nonacyclo[11.10.1.13,6.117,20.01,11.02,10.08,12.014,23.016,21]hexacos-18-ene

C26H34 — CID 90865347

IUPACnonacyclo[11.10.1.13,6.117,20.01,11.02,10.08,12.014,23.016,21]hexacos-18-ene
SMILESC1=CC2CC1C1CC3C4CC5(C3CC21)C1C2CCC(CC3CC1C5C34)C2
InChIInChI=1S/C26H34/c1-2-15-5-12(1)6-16-8-20-24(15)26-11-21(23(16)25(20)26)19-9-17-13-3-4-14(7-13)18(17)10-22(19)26/h3-4,12-25H,1-2,5-11H2
InChIKeyIREVQJZXUSLSOA-UHFFFAOYSA-N
MW346.56 g/mol
LogP5.79
Rot. Bonds

About nonacyclo[11.10.1.13,6.117,20.01,11.02,10.08,12.014,23.016,21]hexacos-18-ene

nonacyclo[11.10.1.13,6.117,20.01,11.02,10.08,12.014,23.016,21]hexacos-18-ene (PubChem CID 90865347) has the molecular formula C26H34 and a molecular weight of 346.56 g/mol. Its IUPAC name is nonacyclo[11.10.1.13,6.117,20.01,11.02,10.08,12.014,23.016,21]hexacos-18-ene.

Molecular Properties

Compound Namenonacyclo[11.10.1.13,6.117,20.01,11.02,10.08,12.014,23.016,21]hexacos-18-ene
PubChem CID90865347
Molecular FormulaC26H34
Molecular Weight346.56 g/mol
Exact Mass346.27
IUPAC Namenonacyclo[11.10.1.13,6.117,20.01,11.02,10.08,12.014,23.016,21]hexacos-18-ene
SMILESC1=CC2CC1C1CC3C4CC5(C3CC21)C1C2CCC(CC3CC1C5C34)C2
InChIInChI=1S/C26H34/c1-2-15-5-12(1)6-16-8-20-24(15)26-11-21(23(16)25(20)26)19-9-17-13-3-4-14(7-13)18(17)10-22(19)26/h3-4,12-25H,1-2,5-11H2
InChIKeyIREVQJZXUSLSOA-UHFFFAOYSA-N
XLogP5.79
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 ≤ 55.79
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 nonacyclo[11.10.1.13,6.117,20.01,11.02,10.08,12.014,23.016,21]hexacos-18-ene?
The IUPAC name of nonacyclo[11.10.1.13,6.117,20.01,11.02,10.08,12.014,23.016,21]hexacos-18-ene (CID 90865347) is nonacyclo[11.10.1.13,6.117,20.01,11.02,10.08,12.014,23.016,21]hexacos-18-ene.
What is the SMILES notation for nonacyclo[11.10.1.13,6.117,20.01,11.02,10.08,12.014,23.016,21]hexacos-18-ene?
The canonical SMILES for nonacyclo[11.10.1.13,6.117,20.01,11.02,10.08,12.014,23.016,21]hexacos-18-ene is C1=CC2CC1C1CC3C4CC5(C3CC21)C1C2CCC(CC3CC1C5C34)C2.
What is the InChIKey of nonacyclo[11.10.1.13,6.117,20.01,11.02,10.08,12.014,23.016,21]hexacos-18-ene?
The InChIKey is IREVQJZXUSLSOA-UHFFFAOYSA-N. The full InChI is InChI=1S/C26H34/c1-2-15-5-12(1)6-16-8-20-24(15)26-11-21(23(16)25(20)26)19-9-17-13-3-4-14(7-13)18(17)10-22(19)26/h3-4,12-25H,1-2,5-11H2.
What are the key properties of nonacyclo[11.10.1.13,6.117,20.01,11.02,10.08,12.014,23.016,21]hexacos-18-ene?
nonacyclo[11.10.1.13,6.117,20.01,11.02,10.08,12.014,23.016,21]hexacos-18-ene has a molecular weight of 346.56 g/mol, XLogP of 5.79, 0 rotatable bonds, 0 hydrogen bond donors, and 0 hydrogen bond acceptors.
Where does this data come from?
All data for nonacyclo[11.10.1.13,6.117,20.01,11.02,10.08,12.014,23.016,21]hexacos-18-ene is sourced from PubChem (CID 90865347), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).