heptacyclo[17.2.1.15,8.112,15.02,18.04,9.011,16]tetracosa-6,13,20-triene

C24H30 — CID 22949633

IUPACheptacyclo[17.2.1.15,8.112,15.02,18.04,9.011,16]tetracosa-6,13,20-triene
SMILESC1=CC2CC1C1CC3C4C=CC(C4)C3CC3C4C=CC(C4)C3CC21
InChIInChI=1S/C24H30/c1-2-14-7-13(1)19-10-21-15-3-4-17(8-15)23(21)12-24-18-6-5-16(9-18)22(24)11-20(14)19/h1-6,13-24H,7-12H2
InChIKeySZQCPOVXKUKDKO-UHFFFAOYSA-N
MW318.50 g/mol
LogP5.49
Rot. Bonds

About heptacyclo[17.2.1.15,8.112,15.02,18.04,9.011,16]tetracosa-6,13,20-triene

heptacyclo[17.2.1.15,8.112,15.02,18.04,9.011,16]tetracosa-6,13,20-triene (PubChem CID 22949633) has the molecular formula C24H30 and a molecular weight of 318.50 g/mol. Its IUPAC name is heptacyclo[17.2.1.15,8.112,15.02,18.04,9.011,16]tetracosa-6,13,20-triene.

Molecular Properties

Compound Nameheptacyclo[17.2.1.15,8.112,15.02,18.04,9.011,16]tetracosa-6,13,20-triene
PubChem CID22949633
Molecular FormulaC24H30
Molecular Weight318.50 g/mol
Exact Mass318.23
IUPAC Nameheptacyclo[17.2.1.15,8.112,15.02,18.04,9.011,16]tetracosa-6,13,20-triene
SMILESC1=CC2CC1C1CC3C4C=CC(C4)C3CC3C4C=CC(C4)C3CC21
InChIInChI=1S/C24H30/c1-2-14-7-13(1)19-10-21-15-3-4-17(8-15)23(21)12-24-18-6-5-16(9-18)22(24)11-20(14)19/h1-6,13-24H,7-12H2
InChIKeySZQCPOVXKUKDKO-UHFFFAOYSA-N
XLogP5.49
TPSA0.00 Ų
H-Bond Donors
H-Bond Acceptors
Rotatable Bonds
Heavy Atoms24
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500318.50
LogP ≤ 55.49
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 heptacyclo[17.2.1.15,8.112,15.02,18.04,9.011,16]tetracosa-6,13,20-triene?
The IUPAC name of heptacyclo[17.2.1.15,8.112,15.02,18.04,9.011,16]tetracosa-6,13,20-triene (CID 22949633) is heptacyclo[17.2.1.15,8.112,15.02,18.04,9.011,16]tetracosa-6,13,20-triene.
What is the SMILES notation for heptacyclo[17.2.1.15,8.112,15.02,18.04,9.011,16]tetracosa-6,13,20-triene?
The canonical SMILES for heptacyclo[17.2.1.15,8.112,15.02,18.04,9.011,16]tetracosa-6,13,20-triene is C1=CC2CC1C1CC3C4C=CC(C4)C3CC3C4C=CC(C4)C3CC21.
What is the InChIKey of heptacyclo[17.2.1.15,8.112,15.02,18.04,9.011,16]tetracosa-6,13,20-triene?
The InChIKey is SZQCPOVXKUKDKO-UHFFFAOYSA-N. The full InChI is InChI=1S/C24H30/c1-2-14-7-13(1)19-10-21-15-3-4-17(8-15)23(21)12-24-18-6-5-16(9-18)22(24)11-20(14)19/h1-6,13-24H,7-12H2.
What are the key properties of heptacyclo[17.2.1.15,8.112,15.02,18.04,9.011,16]tetracosa-6,13,20-triene?
heptacyclo[17.2.1.15,8.112,15.02,18.04,9.011,16]tetracosa-6,13,20-triene has a molecular weight of 318.50 g/mol, XLogP of 5.49, 0 rotatable bonds, 0 hydrogen bond donors, and 0 hydrogen bond acceptors.
Where does this data come from?
All data for heptacyclo[17.2.1.15,8.112,15.02,18.04,9.011,16]tetracosa-6,13,20-triene is sourced from PubChem (CID 22949633), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).