10-methylpentacyclo[12.8.0.02,11.03,8.017,22]docosa-1(14),2(11),3,5,7,9,12,15,17,19,21-undecaene

C23H16 — CID 24939091

IUPAC10-methylpentacyclo[12.8.0.02,11.03,8.017,22]docosa-1(14),2(11),3,5,7,9,12,15,17,19,21-undecaene
SMILESCc1cc2ccccc2c2c1ccc1ccc3ccccc3c12
InChIInChI=1S/C23H16/c1-15-14-18-7-3-5-9-21(18)23-19(15)13-12-17-11-10-16-6-2-4-8-20(16)22(17)23/h2-14H,1H3
InChIKeyIUUGMUHUMZKEIA-UHFFFAOYSA-N
MW292.38 g/mol
LogP6.61
Rot. Bonds

About 10-methylpentacyclo[12.8.0.02,11.03,8.017,22]docosa-1(14),2(11),3,5,7,9,12,15,17,19,21-undecaene

10-methylpentacyclo[12.8.0.02,11.03,8.017,22]docosa-1(14),2(11),3,5,7,9,12,15,17,19,21-undecaene (PubChem CID 24939091) has the molecular formula C23H16 and a molecular weight of 292.38 g/mol. Its IUPAC name is 10-methylpentacyclo[12.8.0.02,11.03,8.017,22]docosa-1(14),2(11),3,5,7,9,12,15,17,19,21-undecaene.

Molecular Properties

Compound Name10-methylpentacyclo[12.8.0.02,11.03,8.017,22]docosa-1(14),2(11),3,5,7,9,12,15,17,19,21-undecaene
PubChem CID24939091
Molecular FormulaC23H16
Molecular Weight292.38 g/mol
Exact Mass292.13
IUPAC Name10-methylpentacyclo[12.8.0.02,11.03,8.017,22]docosa-1(14),2(11),3,5,7,9,12,15,17,19,21-undecaene
SMILESCc1cc2ccccc2c2c1ccc1ccc3ccccc3c12
InChIInChI=1S/C23H16/c1-15-14-18-7-3-5-9-21(18)23-19(15)13-12-17-11-10-16-6-2-4-8-20(16)22(17)23/h2-14H,1H3
InChIKeyIUUGMUHUMZKEIA-UHFFFAOYSA-N
XLogP6.61
TPSA0.00 Ų
H-Bond Donors
H-Bond Acceptors
Rotatable Bonds
Heavy Atoms23
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500292.38
LogP ≤ 56.61
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 100

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Polycyclic_aromatic_hydrocarbon_3', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of 10-methylpentacyclo[12.8.0.02,11.03,8.017,22]docosa-1(14),2(11),3,5,7,9,12,15,17,19,21-undecaene?
The IUPAC name of 10-methylpentacyclo[12.8.0.02,11.03,8.017,22]docosa-1(14),2(11),3,5,7,9,12,15,17,19,21-undecaene (CID 24939091) is 10-methylpentacyclo[12.8.0.02,11.03,8.017,22]docosa-1(14),2(11),3,5,7,9,12,15,17,19,21-undecaene.
What is the SMILES notation for 10-methylpentacyclo[12.8.0.02,11.03,8.017,22]docosa-1(14),2(11),3,5,7,9,12,15,17,19,21-undecaene?
The canonical SMILES for 10-methylpentacyclo[12.8.0.02,11.03,8.017,22]docosa-1(14),2(11),3,5,7,9,12,15,17,19,21-undecaene is Cc1cc2ccccc2c2c1ccc1ccc3ccccc3c12.
What is the InChIKey of 10-methylpentacyclo[12.8.0.02,11.03,8.017,22]docosa-1(14),2(11),3,5,7,9,12,15,17,19,21-undecaene?
The InChIKey is IUUGMUHUMZKEIA-UHFFFAOYSA-N. The full InChI is InChI=1S/C23H16/c1-15-14-18-7-3-5-9-21(18)23-19(15)13-12-17-11-10-16-6-2-4-8-20(16)22(17)23/h2-14H,1H3.
What are the key properties of 10-methylpentacyclo[12.8.0.02,11.03,8.017,22]docosa-1(14),2(11),3,5,7,9,12,15,17,19,21-undecaene?
10-methylpentacyclo[12.8.0.02,11.03,8.017,22]docosa-1(14),2(11),3,5,7,9,12,15,17,19,21-undecaene has a molecular weight of 292.38 g/mol, XLogP of 6.61, 0 rotatable bonds, 0 hydrogen bond donors, and 0 hydrogen bond acceptors.
Where does this data come from?
All data for 10-methylpentacyclo[12.8.0.02,11.03,8.017,22]docosa-1(14),2(11),3,5,7,9,12,15,17,19,21-undecaene is sourced from PubChem (CID 24939091), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).