pentacyclo[16.2.2.28,11.02,17.07,12]tetracosa-2(17),7(12)-dien-3,5,13,15-tetrayne

C24H20 — CID 10757213

IUPACpentacyclo[16.2.2.28,11.02,17.07,12]tetracosa-2(17),7(12)-dien-3,5,13,15-tetrayne
SMILESC1#CC2=C(C#CC#CC3=C(C#C1)C1CCC3CC1)C1CCC2CC1
InChIInChI=1S/C24H20/c1-2-6-22-18-13-15-20(16-14-18)24(22)8-4-3-7-23-19-11-9-17(10-12-19)21(23)5-1/h17-20H,9-16H2
InChIKeyIZALSHAEMKRPCV-UHFFFAOYSA-N
MW308.42 g/mol
LogP4.25
Rot. Bonds

About pentacyclo[16.2.2.28,11.02,17.07,12]tetracosa-2(17),7(12)-dien-3,5,13,15-tetrayne

pentacyclo[16.2.2.28,11.02,17.07,12]tetracosa-2(17),7(12)-dien-3,5,13,15-tetrayne (PubChem CID 10757213) has the molecular formula C24H20 and a molecular weight of 308.42 g/mol. Its IUPAC name is pentacyclo[16.2.2.28,11.02,17.07,12]tetracosa-2(17),7(12)-dien-3,5,13,15-tetrayne.

Molecular Properties

Compound Namepentacyclo[16.2.2.28,11.02,17.07,12]tetracosa-2(17),7(12)-dien-3,5,13,15-tetrayne
PubChem CID10757213
Molecular FormulaC24H20
Molecular Weight308.42 g/mol
Exact Mass308.16
IUPAC Namepentacyclo[16.2.2.28,11.02,17.07,12]tetracosa-2(17),7(12)-dien-3,5,13,15-tetrayne
SMILESC1#CC2=C(C#CC#CC3=C(C#C1)C1CCC3CC1)C1CCC2CC1
InChIInChI=1S/C24H20/c1-2-6-22-18-13-15-20(16-14-18)24(22)8-4-3-7-23-19-11-9-17(10-12-19)21(23)5-1/h17-20H,9-16H2
InChIKeyIZALSHAEMKRPCV-UHFFFAOYSA-N
XLogP4.25
TPSA0.00 Ų
H-Bond Donors
H-Bond Acceptors
Rotatable Bonds
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500308.42
LogP ≤ 54.25
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 100

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of pentacyclo[16.2.2.28,11.02,17.07,12]tetracosa-2(17),7(12)-dien-3,5,13,15-tetrayne?
The IUPAC name of pentacyclo[16.2.2.28,11.02,17.07,12]tetracosa-2(17),7(12)-dien-3,5,13,15-tetrayne (CID 10757213) is pentacyclo[16.2.2.28,11.02,17.07,12]tetracosa-2(17),7(12)-dien-3,5,13,15-tetrayne.
What is the SMILES notation for pentacyclo[16.2.2.28,11.02,17.07,12]tetracosa-2(17),7(12)-dien-3,5,13,15-tetrayne?
The canonical SMILES for pentacyclo[16.2.2.28,11.02,17.07,12]tetracosa-2(17),7(12)-dien-3,5,13,15-tetrayne is C1#CC2=C(C#CC#CC3=C(C#C1)C1CCC3CC1)C1CCC2CC1.
What is the InChIKey of pentacyclo[16.2.2.28,11.02,17.07,12]tetracosa-2(17),7(12)-dien-3,5,13,15-tetrayne?
The InChIKey is IZALSHAEMKRPCV-UHFFFAOYSA-N. The full InChI is InChI=1S/C24H20/c1-2-6-22-18-13-15-20(16-14-18)24(22)8-4-3-7-23-19-11-9-17(10-12-19)21(23)5-1/h17-20H,9-16H2.
What are the key properties of pentacyclo[16.2.2.28,11.02,17.07,12]tetracosa-2(17),7(12)-dien-3,5,13,15-tetrayne?
pentacyclo[16.2.2.28,11.02,17.07,12]tetracosa-2(17),7(12)-dien-3,5,13,15-tetrayne has a molecular weight of 308.42 g/mol, XLogP of 4.25, 0 rotatable bonds, 0 hydrogen bond donors, and 0 hydrogen bond acceptors.
Where does this data come from?
All data for pentacyclo[16.2.2.28,11.02,17.07,12]tetracosa-2(17),7(12)-dien-3,5,13,15-tetrayne is sourced from PubChem (CID 10757213), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).