1-methylcycloicosa-1,2,3,4,5,6,7,8,11,12,13,14,15,16,17,18-hexadecaene

C21H10 — CID 134831972

IUPAC1-methylcycloicosa-1,2,3,4,5,6,7,8,11,12,13,14,15,16,17,18-hexadecaene
SMILESCC1=C=C=C=C=C=C=C=CCC=C=C=C=C=C=C=C=CC1
InChIInChI=1S/C21H10/c1-21-19-17-15-13-11-9-7-5-3-2-4-6-8-10-12-14-16-18-20-21/h2,5,18H,3,20H2,1H3
InChIKeyUFIGNEZAAJLUJF-UHFFFAOYSA-N
MW262.31 g/mol
LogP4.45
Rot. Bonds

About 1-methylcycloicosa-1,2,3,4,5,6,7,8,11,12,13,14,15,16,17,18-hexadecaene

1-methylcycloicosa-1,2,3,4,5,6,7,8,11,12,13,14,15,16,17,18-hexadecaene (PubChem CID 134831972) has the molecular formula C21H10 and a molecular weight of 262.31 g/mol. Its IUPAC name is 1-methylcycloicosa-1,2,3,4,5,6,7,8,11,12,13,14,15,16,17,18-hexadecaene.

Molecular Properties

Compound Name1-methylcycloicosa-1,2,3,4,5,6,7,8,11,12,13,14,15,16,17,18-hexadecaene
PubChem CID134831972
Molecular FormulaC21H10
Molecular Weight262.31 g/mol
Exact Mass262.08
IUPAC Name1-methylcycloicosa-1,2,3,4,5,6,7,8,11,12,13,14,15,16,17,18-hexadecaene
SMILESCC1=C=C=C=C=C=C=C=CCC=C=C=C=C=C=C=C=CC1
InChIInChI=1S/C21H10/c1-21-19-17-15-13-11-9-7-5-3-2-4-6-8-10-12-14-16-18-20-21/h2,5,18H,3,20H2,1H3
InChIKeyUFIGNEZAAJLUJF-UHFFFAOYSA-N
XLogP4.45
TPSA0.00 Ų
H-Bond Donors
H-Bond Acceptors
Rotatable Bonds
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500262.31
LogP ≤ 54.45
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 100

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Frequently Asked Questions

What is the IUPAC name of 1-methylcycloicosa-1,2,3,4,5,6,7,8,11,12,13,14,15,16,17,18-hexadecaene?
The IUPAC name of 1-methylcycloicosa-1,2,3,4,5,6,7,8,11,12,13,14,15,16,17,18-hexadecaene (CID 134831972) is 1-methylcycloicosa-1,2,3,4,5,6,7,8,11,12,13,14,15,16,17,18-hexadecaene.
What is the SMILES notation for 1-methylcycloicosa-1,2,3,4,5,6,7,8,11,12,13,14,15,16,17,18-hexadecaene?
The canonical SMILES for 1-methylcycloicosa-1,2,3,4,5,6,7,8,11,12,13,14,15,16,17,18-hexadecaene is CC1=C=C=C=C=C=C=C=CCC=C=C=C=C=C=C=C=CC1.
What is the InChIKey of 1-methylcycloicosa-1,2,3,4,5,6,7,8,11,12,13,14,15,16,17,18-hexadecaene?
The InChIKey is UFIGNEZAAJLUJF-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H10/c1-21-19-17-15-13-11-9-7-5-3-2-4-6-8-10-12-14-16-18-20-21/h2,5,18H,3,20H2,1H3.
What are the key properties of 1-methylcycloicosa-1,2,3,4,5,6,7,8,11,12,13,14,15,16,17,18-hexadecaene?
1-methylcycloicosa-1,2,3,4,5,6,7,8,11,12,13,14,15,16,17,18-hexadecaene has a molecular weight of 262.31 g/mol, XLogP of 4.45, 0 rotatable bonds, 0 hydrogen bond donors, and 0 hydrogen bond acceptors.
Where does this data come from?
All data for 1-methylcycloicosa-1,2,3,4,5,6,7,8,11,12,13,14,15,16,17,18-hexadecaene is sourced from PubChem (CID 134831972), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).