4,9-dimethyl-4,5,9,10-tetrahydropyrene

C18H18 — CID 162152036

IUPAC4,9-dimethyl-4,5,9,10-tetrahydropyrene
SMILESCC1Cc2cccc3c2-c2c(cccc21)CC3C
InChIInChI=1S/C18H18/c1-11-9-13-5-4-8-16-12(2)10-14-6-3-7-15(11)17(14)18(13)16/h3-8,11-12H,9-10H2,1-2H3
InChIKeyYKGDYKNGQSOQEC-UHFFFAOYSA-N
MW234.34 g/mol
LogP4.67
Rot. Bonds

About 4,9-dimethyl-4,5,9,10-tetrahydropyrene

4,9-dimethyl-4,5,9,10-tetrahydropyrene (PubChem CID 162152036) has the molecular formula C18H18 and a molecular weight of 234.34 g/mol. Its IUPAC name is 4,9-dimethyl-4,5,9,10-tetrahydropyrene.

Molecular Properties

Compound Name4,9-dimethyl-4,5,9,10-tetrahydropyrene
PubChem CID162152036
Molecular FormulaC18H18
Molecular Weight234.34 g/mol
Exact Mass234.14
IUPAC Name4,9-dimethyl-4,5,9,10-tetrahydropyrene
SMILESCC1Cc2cccc3c2-c2c(cccc21)CC3C
InChIInChI=1S/C18H18/c1-11-9-13-5-4-8-16-12(2)10-14-6-3-7-15(11)17(14)18(13)16/h3-8,11-12H,9-10H2,1-2H3
InChIKeyYKGDYKNGQSOQEC-UHFFFAOYSA-N
XLogP4.67
TPSA0.00 Ų
H-Bond Donors
H-Bond Acceptors
Rotatable Bonds
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500234.34
LogP ≤ 54.67
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 100

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Related Compounds

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dimethyl (4S,9R)-4,5,9,10-tetrahydropyrene-4,9-dicarboxylate
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Frequently Asked Questions

What is the IUPAC name of 4,9-dimethyl-4,5,9,10-tetrahydropyrene?
The IUPAC name of 4,9-dimethyl-4,5,9,10-tetrahydropyrene (CID 162152036) is 4,9-dimethyl-4,5,9,10-tetrahydropyrene.
What is the SMILES notation for 4,9-dimethyl-4,5,9,10-tetrahydropyrene?
The canonical SMILES for 4,9-dimethyl-4,5,9,10-tetrahydropyrene is CC1Cc2cccc3c2-c2c(cccc21)CC3C.
What is the InChIKey of 4,9-dimethyl-4,5,9,10-tetrahydropyrene?
The InChIKey is YKGDYKNGQSOQEC-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H18/c1-11-9-13-5-4-8-16-12(2)10-14-6-3-7-15(11)17(14)18(13)16/h3-8,11-12H,9-10H2,1-2H3.
What are the key properties of 4,9-dimethyl-4,5,9,10-tetrahydropyrene?
4,9-dimethyl-4,5,9,10-tetrahydropyrene has a molecular weight of 234.34 g/mol, XLogP of 4.67, 0 rotatable bonds, 0 hydrogen bond donors, and 0 hydrogen bond acceptors.
Where does this data come from?
All data for 4,9-dimethyl-4,5,9,10-tetrahydropyrene is sourced from PubChem (CID 162152036), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).