methyl(16-pentacyclo[10.7.1.02,7.08,20.013,18]icosa-1(20),2,4,6,8,10,12,14,18-nonaenylidene)oxidanium

C21H15O+ — CID 11760740

IUPACmethyl(16-pentacyclo[10.7.1.02,7.08,20.013,18]icosa-1(20),2,4,6,8,10,12,14,18-nonaenylidene)oxidanium
SMILESC/[O+]=C1\C=Cc2c(cc3c4c(cccc24)-c2ccccc2-3)C1
InChIInChI=1S/C21H15O/c1-22-14-9-10-15-13(11-14)12-20-17-6-3-2-5-16(17)19-8-4-7-18(15)21(19)20/h2-10,12H,11H2,1H3/q+1
InChIKeyMIFQYIUILHQEHL-UHFFFAOYSA-N
MW283.35 g/mol
LogP4.79
Rot. Bonds

About methyl(16-pentacyclo[10.7.1.02,7.08,20.013,18]icosa-1(20),2,4,6,8,10,12,14,18-nonaenylidene)oxidanium

methyl(16-pentacyclo[10.7.1.02,7.08,20.013,18]icosa-1(20),2,4,6,8,10,12,14,18-nonaenylidene)oxidanium (PubChem CID 11760740) has the molecular formula C21H15O+ and a molecular weight of 283.35 g/mol. Its IUPAC name is methyl(16-pentacyclo[10.7.1.02,7.08,20.013,18]icosa-1(20),2,4,6,8,10,12,14,18-nonaenylidene)oxidanium.

Molecular Properties

Compound Namemethyl(16-pentacyclo[10.7.1.02,7.08,20.013,18]icosa-1(20),2,4,6,8,10,12,14,18-nonaenylidene)oxidanium
PubChem CID11760740
Molecular FormulaC21H15O+
Molecular Weight283.35 g/mol
Exact Mass283.11
IUPAC Namemethyl(16-pentacyclo[10.7.1.02,7.08,20.013,18]icosa-1(20),2,4,6,8,10,12,14,18-nonaenylidene)oxidanium
SMILESC/[O+]=C1\C=Cc2c(cc3c4c(cccc24)-c2ccccc2-3)C1
InChIInChI=1S/C21H15O/c1-22-14-9-10-15-13(11-14)12-20-17-6-3-2-5-16(17)19-8-4-7-18(15)21(19)20/h2-10,12H,11H2,1H3/q+1
InChIKeyMIFQYIUILHQEHL-UHFFFAOYSA-N
XLogP4.79
TPSA11.30 Ų
H-Bond Donors
H-Bond Acceptors
Rotatable Bonds
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500283.35
LogP ≤ 54.79
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 100

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of methyl(16-pentacyclo[10.7.1.02,7.08,20.013,18]icosa-1(20),2,4,6,8,10,12,14,18-nonaenylidene)oxidanium?
The IUPAC name of methyl(16-pentacyclo[10.7.1.02,7.08,20.013,18]icosa-1(20),2,4,6,8,10,12,14,18-nonaenylidene)oxidanium (CID 11760740) is methyl(16-pentacyclo[10.7.1.02,7.08,20.013,18]icosa-1(20),2,4,6,8,10,12,14,18-nonaenylidene)oxidanium.
What is the SMILES notation for methyl(16-pentacyclo[10.7.1.02,7.08,20.013,18]icosa-1(20),2,4,6,8,10,12,14,18-nonaenylidene)oxidanium?
The canonical SMILES for methyl(16-pentacyclo[10.7.1.02,7.08,20.013,18]icosa-1(20),2,4,6,8,10,12,14,18-nonaenylidene)oxidanium is C/[O+]=C1\C=Cc2c(cc3c4c(cccc24)-c2ccccc2-3)C1.
What is the InChIKey of methyl(16-pentacyclo[10.7.1.02,7.08,20.013,18]icosa-1(20),2,4,6,8,10,12,14,18-nonaenylidene)oxidanium?
The InChIKey is MIFQYIUILHQEHL-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H15O/c1-22-14-9-10-15-13(11-14)12-20-17-6-3-2-5-16(17)19-8-4-7-18(15)21(19)20/h2-10,12H,11H2,1H3/q+1.
What are the key properties of methyl(16-pentacyclo[10.7.1.02,7.08,20.013,18]icosa-1(20),2,4,6,8,10,12,14,18-nonaenylidene)oxidanium?
methyl(16-pentacyclo[10.7.1.02,7.08,20.013,18]icosa-1(20),2,4,6,8,10,12,14,18-nonaenylidene)oxidanium has a molecular weight of 283.35 g/mol, XLogP of 4.79, 0 rotatable bonds, 0 hydrogen bond donors, and 0 hydrogen bond acceptors.
Where does this data come from?
All data for methyl(16-pentacyclo[10.7.1.02,7.08,20.013,18]icosa-1(20),2,4,6,8,10,12,14,18-nonaenylidene)oxidanium is sourced from PubChem (CID 11760740), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).