chrysene;2-methylprop-1-ene

C22H20 — CID 173244266

IUPACchrysene;2-methylprop-1-ene
SMILESC=C(C)C.c1ccc2c(c1)ccc1c3ccccc3ccc21
InChIInChI=1S/C18H12.C4H8/c1-3-7-15-13(5-1)9-11-18-16-8-4-2-6-14(16)10-12-17(15)18;1-4(2)3/h1-12H;1H2,2-3H3
InChIKeyYLFIRJXTQBNNFZ-UHFFFAOYSA-N
MW284.40 g/mol
LogP6.73
Rot. Bonds

About chrysene;2-methylprop-1-ene

chrysene;2-methylprop-1-ene (PubChem CID 173244266) has the molecular formula C22H20 and a molecular weight of 284.40 g/mol. Its IUPAC name is chrysene;2-methylprop-1-ene.

Molecular Properties

Compound Namechrysene;2-methylprop-1-ene
PubChem CID173244266
Molecular FormulaC22H20
Molecular Weight284.40 g/mol
Exact Mass284.16
IUPAC Namechrysene;2-methylprop-1-ene
SMILESC=C(C)C.c1ccc2c(c1)ccc1c3ccccc3ccc21
InChIInChI=1S/C18H12.C4H8/c1-3-7-15-13(5-1)9-11-18-16-8-4-2-6-14(16)10-12-17(15)18;1-4(2)3/h1-12H;1H2,2-3H3
InChIKeyYLFIRJXTQBNNFZ-UHFFFAOYSA-N
XLogP6.73
TPSA0.00 Ų
H-Bond Donors
H-Bond Acceptors
Rotatable Bonds
Heavy Atoms22
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500284.40
LogP ≤ 56.73
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 100

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of chrysene;2-methylprop-1-ene?
The IUPAC name of chrysene;2-methylprop-1-ene (CID 173244266) is chrysene;2-methylprop-1-ene.
What is the SMILES notation for chrysene;2-methylprop-1-ene?
The canonical SMILES for chrysene;2-methylprop-1-ene is C=C(C)C.c1ccc2c(c1)ccc1c3ccccc3ccc21.
What is the InChIKey of chrysene;2-methylprop-1-ene?
The InChIKey is YLFIRJXTQBNNFZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H12.C4H8/c1-3-7-15-13(5-1)9-11-18-16-8-4-2-6-14(16)10-12-17(15)18;1-4(2)3/h1-12H;1H2,2-3H3.
What are the key properties of chrysene;2-methylprop-1-ene?
chrysene;2-methylprop-1-ene has a molecular weight of 284.40 g/mol, XLogP of 6.73, 0 rotatable bonds, 0 hydrogen bond donors, and 0 hydrogen bond acceptors.
Where does this data come from?
All data for chrysene;2-methylprop-1-ene is sourced from PubChem (CID 173244266), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).