nonacyclo[10.10.1.13,10.14,8.116,19.02,11.04,9.013,22.015,20]hexacos-17-ene

C26H34 — CID 91275714

IUPACnonacyclo[10.10.1.13,10.14,8.116,19.02,11.04,9.013,22.015,20]hexacos-17-ene
SMILESC1=CC2CC1C1CC3C(CC21)C1CC3C2C3CC(C12)C12CCCC(C1)C32
InChIInChI=1S/C26H34/c1-2-14-11-26(5-1)22-10-21(25(14)26)23-19-9-20(24(22)23)18-8-16-13-4-3-12(6-13)15(16)7-17(18)19/h3-4,12-25H,1-2,5-11H2
InChIKeyDYYLSMAOHOCWOP-UHFFFAOYSA-N
MW346.56 g/mol
LogP5.79
Rot. Bonds

About nonacyclo[10.10.1.13,10.14,8.116,19.02,11.04,9.013,22.015,20]hexacos-17-ene

nonacyclo[10.10.1.13,10.14,8.116,19.02,11.04,9.013,22.015,20]hexacos-17-ene (PubChem CID 91275714) has the molecular formula C26H34 and a molecular weight of 346.56 g/mol. Its IUPAC name is nonacyclo[10.10.1.13,10.14,8.116,19.02,11.04,9.013,22.015,20]hexacos-17-ene.

Molecular Properties

Compound Namenonacyclo[10.10.1.13,10.14,8.116,19.02,11.04,9.013,22.015,20]hexacos-17-ene
PubChem CID91275714
Molecular FormulaC26H34
Molecular Weight346.56 g/mol
Exact Mass346.27
IUPAC Namenonacyclo[10.10.1.13,10.14,8.116,19.02,11.04,9.013,22.015,20]hexacos-17-ene
SMILESC1=CC2CC1C1CC3C(CC21)C1CC3C2C3CC(C12)C12CCCC(C1)C32
InChIInChI=1S/C26H34/c1-2-14-11-26(5-1)22-10-21(25(14)26)23-19-9-20(24(22)23)18-8-16-13-4-3-12(6-13)15(16)7-17(18)19/h3-4,12-25H,1-2,5-11H2
InChIKeyDYYLSMAOHOCWOP-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': 'cyclooctane_1', 'substructure': 'N/A'}, {'alert_name': 'isolated_alkene', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of nonacyclo[10.10.1.13,10.14,8.116,19.02,11.04,9.013,22.015,20]hexacos-17-ene?
The IUPAC name of nonacyclo[10.10.1.13,10.14,8.116,19.02,11.04,9.013,22.015,20]hexacos-17-ene (CID 91275714) is nonacyclo[10.10.1.13,10.14,8.116,19.02,11.04,9.013,22.015,20]hexacos-17-ene.
What is the SMILES notation for nonacyclo[10.10.1.13,10.14,8.116,19.02,11.04,9.013,22.015,20]hexacos-17-ene?
The canonical SMILES for nonacyclo[10.10.1.13,10.14,8.116,19.02,11.04,9.013,22.015,20]hexacos-17-ene is C1=CC2CC1C1CC3C(CC21)C1CC3C2C3CC(C12)C12CCCC(C1)C32.
What is the InChIKey of nonacyclo[10.10.1.13,10.14,8.116,19.02,11.04,9.013,22.015,20]hexacos-17-ene?
The InChIKey is DYYLSMAOHOCWOP-UHFFFAOYSA-N. The full InChI is InChI=1S/C26H34/c1-2-14-11-26(5-1)22-10-21(25(14)26)23-19-9-20(24(22)23)18-8-16-13-4-3-12(6-13)15(16)7-17(18)19/h3-4,12-25H,1-2,5-11H2.
What are the key properties of nonacyclo[10.10.1.13,10.14,8.116,19.02,11.04,9.013,22.015,20]hexacos-17-ene?
nonacyclo[10.10.1.13,10.14,8.116,19.02,11.04,9.013,22.015,20]hexacos-17-ene has a molecular weight of 346.56 g/mol, XLogP of 5.79, 0 rotatable bonds, 0 hydrogen bond donors, and 0 hydrogen bond acceptors.
Where does this data come from?
All data for nonacyclo[10.10.1.13,10.14,8.116,19.02,11.04,9.013,22.015,20]hexacos-17-ene is sourced from PubChem (CID 91275714), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).