8-propan-2-yl-1,9-dihydropyrene

C19H18 — CID 140739340

IUPAC8-propan-2-yl-1,9-dihydropyrene
SMILESCC(C)c1ccc2ccc3c4c2c1CC=C4CC=C3
InChIInChI=1S/C19H18/c1-12(2)16-10-8-15-7-6-13-4-3-5-14-9-11-17(16)19(15)18(13)14/h3-4,6-10,12H,5,11H2,1-2H3
InChIKeyGEKQMRZBFMTYLE-UHFFFAOYSA-N
MW246.35 g/mol
LogP5.32
Rot. Bonds1

About 8-propan-2-yl-1,9-dihydropyrene

8-propan-2-yl-1,9-dihydropyrene (PubChem CID 140739340) has the molecular formula C19H18 and a molecular weight of 246.35 g/mol. Its IUPAC name is 8-propan-2-yl-1,9-dihydropyrene.

Molecular Properties

Compound Name8-propan-2-yl-1,9-dihydropyrene
PubChem CID140739340
Molecular FormulaC19H18
Molecular Weight246.35 g/mol
Exact Mass246.14
IUPAC Name8-propan-2-yl-1,9-dihydropyrene
SMILESCC(C)c1ccc2ccc3c4c2c1CC=C4CC=C3
InChIInChI=1S/C19H18/c1-12(2)16-10-8-15-7-6-13-4-3-5-14-9-11-17(16)19(15)18(13)14/h3-4,6-10,12H,5,11H2,1-2H3
InChIKeyGEKQMRZBFMTYLE-UHFFFAOYSA-N
XLogP5.32
TPSA0.00 Ų
H-Bond Donors
H-Bond Acceptors
Rotatable Bonds1
Heavy Atoms19
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500246.35
LogP ≤ 55.32
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 100

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Frequently Asked Questions

What is the IUPAC name of 8-propan-2-yl-1,9-dihydropyrene?
The IUPAC name of 8-propan-2-yl-1,9-dihydropyrene (CID 140739340) is 8-propan-2-yl-1,9-dihydropyrene.
What is the SMILES notation for 8-propan-2-yl-1,9-dihydropyrene?
The canonical SMILES for 8-propan-2-yl-1,9-dihydropyrene is CC(C)c1ccc2ccc3c4c2c1CC=C4CC=C3.
What is the InChIKey of 8-propan-2-yl-1,9-dihydropyrene?
The InChIKey is GEKQMRZBFMTYLE-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H18/c1-12(2)16-10-8-15-7-6-13-4-3-5-14-9-11-17(16)19(15)18(13)14/h3-4,6-10,12H,5,11H2,1-2H3.
What are the key properties of 8-propan-2-yl-1,9-dihydropyrene?
8-propan-2-yl-1,9-dihydropyrene has a molecular weight of 246.35 g/mol, XLogP of 5.32, 1 rotatable bonds, 0 hydrogen bond donors, and 0 hydrogen bond acceptors.
Where does this data come from?
All data for 8-propan-2-yl-1,9-dihydropyrene is sourced from PubChem (CID 140739340), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).