3-(2-methylbutan-2-yl)fluoranthene

C21H20 — CID 160971075

IUPAC3-(2-methylbutan-2-yl)fluoranthene
SMILESCCC(C)(C)c1ccc2c3c(cccc13)-c1ccccc1-2
InChIInChI=1S/C21H20/c1-4-21(2,3)19-13-12-17-15-9-6-5-8-14(15)16-10-7-11-18(19)20(16)17/h5-13H,4H2,1-3H3
InChIKeySYGJQBXKMATXMH-UHFFFAOYSA-N
MW272.39 g/mol
LogP6.17
Rot. Bonds2

About 3-(2-methylbutan-2-yl)fluoranthene

3-(2-methylbutan-2-yl)fluoranthene (PubChem CID 160971075) has the molecular formula C21H20 and a molecular weight of 272.39 g/mol. Its IUPAC name is 3-(2-methylbutan-2-yl)fluoranthene.

Molecular Properties

Compound Name3-(2-methylbutan-2-yl)fluoranthene
PubChem CID160971075
Molecular FormulaC21H20
Molecular Weight272.39 g/mol
Exact Mass272.16
IUPAC Name3-(2-methylbutan-2-yl)fluoranthene
SMILESCCC(C)(C)c1ccc2c3c(cccc13)-c1ccccc1-2
InChIInChI=1S/C21H20/c1-4-21(2,3)19-13-12-17-15-9-6-5-8-14(15)16-10-7-11-18(19)20(16)17/h5-13H,4H2,1-3H3
InChIKeySYGJQBXKMATXMH-UHFFFAOYSA-N
XLogP6.17
TPSA0.00 Ų
H-Bond Donors
H-Bond Acceptors
Rotatable Bonds2
Heavy Atoms21
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500272.39
LogP ≤ 56.17
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 100

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Related Compounds

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CID 86122786
ethane;fluoranthene;triphenylene
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3-(2-bromophenyl)fluoranthene
CID 58390376
CID 70951832
CID 70951832
3-(3-methylphenyl)fluoranthene
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Frequently Asked Questions

What is the IUPAC name of 3-(2-methylbutan-2-yl)fluoranthene?
The IUPAC name of 3-(2-methylbutan-2-yl)fluoranthene (CID 160971075) is 3-(2-methylbutan-2-yl)fluoranthene.
What is the SMILES notation for 3-(2-methylbutan-2-yl)fluoranthene?
The canonical SMILES for 3-(2-methylbutan-2-yl)fluoranthene is CCC(C)(C)c1ccc2c3c(cccc13)-c1ccccc1-2.
What is the InChIKey of 3-(2-methylbutan-2-yl)fluoranthene?
The InChIKey is SYGJQBXKMATXMH-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H20/c1-4-21(2,3)19-13-12-17-15-9-6-5-8-14(15)16-10-7-11-18(19)20(16)17/h5-13H,4H2,1-3H3.
What are the key properties of 3-(2-methylbutan-2-yl)fluoranthene?
3-(2-methylbutan-2-yl)fluoranthene has a molecular weight of 272.39 g/mol, XLogP of 6.17, 2 rotatable bonds, 0 hydrogen bond donors, and 0 hydrogen bond acceptors.
Where does this data come from?
All data for 3-(2-methylbutan-2-yl)fluoranthene is sourced from PubChem (CID 160971075), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).