nonacyclo[12.6.1.14,11.16,9.116,19.02,13.03,12.05,10.015,20]tetracosa-7,17-diene

C24H28 — CID 564259

IUPACnonacyclo[12.6.1.14,11.16,9.116,19.02,13.03,12.05,10.015,20]tetracosa-7,17-diene
SMILESC1=CC2CC1C1C3CC(C21)C1C3C2C3CC(C4C5C=CC(C5)C34)C12
InChIInChI=1S/C24H28/c1-2-10-5-9(1)17-13-7-14(18(10)17)22-21(13)23-15-8-16(24(22)23)20-12-4-3-11(6-12)19(15)20/h1-4,9-24H,5-8H2
InChIKeyDNMUWRDUUYWQNC-UHFFFAOYSA-N
MW316.49 g/mol
LogP4.64
Rot. Bonds

About nonacyclo[12.6.1.14,11.16,9.116,19.02,13.03,12.05,10.015,20]tetracosa-7,17-diene

nonacyclo[12.6.1.14,11.16,9.116,19.02,13.03,12.05,10.015,20]tetracosa-7,17-diene (PubChem CID 564259) has the molecular formula C24H28 and a molecular weight of 316.49 g/mol. Its IUPAC name is nonacyclo[12.6.1.14,11.16,9.116,19.02,13.03,12.05,10.015,20]tetracosa-7,17-diene.

Molecular Properties

Compound Namenonacyclo[12.6.1.14,11.16,9.116,19.02,13.03,12.05,10.015,20]tetracosa-7,17-diene
PubChem CID564259
Molecular FormulaC24H28
Molecular Weight316.49 g/mol
Exact Mass316.22
IUPAC Namenonacyclo[12.6.1.14,11.16,9.116,19.02,13.03,12.05,10.015,20]tetracosa-7,17-diene
SMILESC1=CC2CC1C1C3CC(C21)C1C3C2C3CC(C4C5C=CC(C5)C34)C12
InChIInChI=1S/C24H28/c1-2-10-5-9(1)17-13-7-14(18(10)17)22-21(13)23-15-8-16(24(22)23)20-12-4-3-11(6-12)19(15)20/h1-4,9-24H,5-8H2
InChIKeyDNMUWRDUUYWQNC-UHFFFAOYSA-N
XLogP4.64
TPSA0.00 Ų
H-Bond Donors
H-Bond Acceptors
Rotatable Bonds
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500316.49
LogP ≤ 54.64
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 100

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'cycloheptane_1', 'substructure': 'N/A'}, {'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[12.6.1.14,11.16,9.116,19.02,13.03,12.05,10.015,20]tetracosa-7,17-diene?
The IUPAC name of nonacyclo[12.6.1.14,11.16,9.116,19.02,13.03,12.05,10.015,20]tetracosa-7,17-diene (CID 564259) is nonacyclo[12.6.1.14,11.16,9.116,19.02,13.03,12.05,10.015,20]tetracosa-7,17-diene.
What is the SMILES notation for nonacyclo[12.6.1.14,11.16,9.116,19.02,13.03,12.05,10.015,20]tetracosa-7,17-diene?
The canonical SMILES for nonacyclo[12.6.1.14,11.16,9.116,19.02,13.03,12.05,10.015,20]tetracosa-7,17-diene is C1=CC2CC1C1C3CC(C21)C1C3C2C3CC(C4C5C=CC(C5)C34)C12.
What is the InChIKey of nonacyclo[12.6.1.14,11.16,9.116,19.02,13.03,12.05,10.015,20]tetracosa-7,17-diene?
The InChIKey is DNMUWRDUUYWQNC-UHFFFAOYSA-N. The full InChI is InChI=1S/C24H28/c1-2-10-5-9(1)17-13-7-14(18(10)17)22-21(13)23-15-8-16(24(22)23)20-12-4-3-11(6-12)19(15)20/h1-4,9-24H,5-8H2.
What are the key properties of nonacyclo[12.6.1.14,11.16,9.116,19.02,13.03,12.05,10.015,20]tetracosa-7,17-diene?
nonacyclo[12.6.1.14,11.16,9.116,19.02,13.03,12.05,10.015,20]tetracosa-7,17-diene has a molecular weight of 316.49 g/mol, XLogP of 4.64, 0 rotatable bonds, 0 hydrogen bond donors, and 0 hydrogen bond acceptors.
Where does this data come from?
All data for nonacyclo[12.6.1.14,11.16,9.116,19.02,13.03,12.05,10.015,20]tetracosa-7,17-diene is sourced from PubChem (CID 564259), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).