13-(4-methylcyclopent-2-en-1-yl)tetracyclo[9.2.1.02,10.03,8]tetradeca-3,5,7-triene

C20H24 — CID 22943892

IUPAC13-(4-methylcyclopent-2-en-1-yl)tetracyclo[9.2.1.02,10.03,8]tetradeca-3,5,7-triene
SMILESCC1C=CC(C2CC3CC2C2c4ccccc4CC32)C1
InChIInChI=1S/C20H24/c1-12-6-7-14(8-12)17-10-15-11-19(17)20-16-5-3-2-4-13(16)9-18(15)20/h2-7,12,14-15,17-20H,8-11H2,1H3
InChIKeyYBPYHFORRYAOEU-UHFFFAOYSA-N
MW264.41 g/mol
LogP4.81
Rot. Bonds1

About 13-(4-methylcyclopent-2-en-1-yl)tetracyclo[9.2.1.02,10.03,8]tetradeca-3,5,7-triene

13-(4-methylcyclopent-2-en-1-yl)tetracyclo[9.2.1.02,10.03,8]tetradeca-3,5,7-triene (PubChem CID 22943892) has the molecular formula C20H24 and a molecular weight of 264.41 g/mol. Its IUPAC name is 13-(4-methylcyclopent-2-en-1-yl)tetracyclo[9.2.1.02,10.03,8]tetradeca-3,5,7-triene.

Molecular Properties

Compound Name13-(4-methylcyclopent-2-en-1-yl)tetracyclo[9.2.1.02,10.03,8]tetradeca-3,5,7-triene
PubChem CID22943892
Molecular FormulaC20H24
Molecular Weight264.41 g/mol
Exact Mass264.19
IUPAC Name13-(4-methylcyclopent-2-en-1-yl)tetracyclo[9.2.1.02,10.03,8]tetradeca-3,5,7-triene
SMILESCC1C=CC(C2CC3CC2C2c4ccccc4CC32)C1
InChIInChI=1S/C20H24/c1-12-6-7-14(8-12)17-10-15-11-19(17)20-16-5-3-2-4-13(16)9-18(15)20/h2-7,12,14-15,17-20H,8-11H2,1H3
InChIKeyYBPYHFORRYAOEU-UHFFFAOYSA-N
XLogP4.81
TPSA0.00 Ų
H-Bond Donors
H-Bond Acceptors
Rotatable Bonds1
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500264.41
LogP ≤ 54.81
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 13-(4-methylcyclopent-2-en-1-yl)tetracyclo[9.2.1.02,10.03,8]tetradeca-3,5,7-triene?
The IUPAC name of 13-(4-methylcyclopent-2-en-1-yl)tetracyclo[9.2.1.02,10.03,8]tetradeca-3,5,7-triene (CID 22943892) is 13-(4-methylcyclopent-2-en-1-yl)tetracyclo[9.2.1.02,10.03,8]tetradeca-3,5,7-triene.
What is the SMILES notation for 13-(4-methylcyclopent-2-en-1-yl)tetracyclo[9.2.1.02,10.03,8]tetradeca-3,5,7-triene?
The canonical SMILES for 13-(4-methylcyclopent-2-en-1-yl)tetracyclo[9.2.1.02,10.03,8]tetradeca-3,5,7-triene is CC1C=CC(C2CC3CC2C2c4ccccc4CC32)C1.
What is the InChIKey of 13-(4-methylcyclopent-2-en-1-yl)tetracyclo[9.2.1.02,10.03,8]tetradeca-3,5,7-triene?
The InChIKey is YBPYHFORRYAOEU-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H24/c1-12-6-7-14(8-12)17-10-15-11-19(17)20-16-5-3-2-4-13(16)9-18(15)20/h2-7,12,14-15,17-20H,8-11H2,1H3.
What are the key properties of 13-(4-methylcyclopent-2-en-1-yl)tetracyclo[9.2.1.02,10.03,8]tetradeca-3,5,7-triene?
13-(4-methylcyclopent-2-en-1-yl)tetracyclo[9.2.1.02,10.03,8]tetradeca-3,5,7-triene has a molecular weight of 264.41 g/mol, XLogP of 4.81, 1 rotatable bonds, 0 hydrogen bond donors, and 0 hydrogen bond acceptors.
Where does this data come from?
All data for 13-(4-methylcyclopent-2-en-1-yl)tetracyclo[9.2.1.02,10.03,8]tetradeca-3,5,7-triene is sourced from PubChem (CID 22943892), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).