3,4-dimethyl-3,3a,4,9b-tetrahydroperylene

C22H20 — CID 91430696

IUPAC3,4-dimethyl-3,3a,4,9b-tetrahydroperylene
SMILESCC1C=CC2=C3C=CC=C4C=CC=C(C5=C2C1C(C)C=C5)C43
InChIInChI=1S/C22H20/c1-13-9-11-18-16-7-3-5-15-6-4-8-17(21(15)16)19-12-10-14(2)20(13)22(18)19/h3-14,20-21H,1-2H3
InChIKeyWGDWMHJPSSAGPG-UHFFFAOYSA-N
MW284.40 g/mol
LogP5.23
Rot. Bonds

About 3,4-dimethyl-3,3a,4,9b-tetrahydroperylene

3,4-dimethyl-3,3a,4,9b-tetrahydroperylene (PubChem CID 91430696) has the molecular formula C22H20 and a molecular weight of 284.40 g/mol. Its IUPAC name is 3,4-dimethyl-3,3a,4,9b-tetrahydroperylene.

Molecular Properties

Compound Name3,4-dimethyl-3,3a,4,9b-tetrahydroperylene
PubChem CID91430696
Molecular FormulaC22H20
Molecular Weight284.40 g/mol
Exact Mass284.16
IUPAC Name3,4-dimethyl-3,3a,4,9b-tetrahydroperylene
SMILESCC1C=CC2=C3C=CC=C4C=CC=C(C5=C2C1C(C)C=C5)C43
InChIInChI=1S/C22H20/c1-13-9-11-18-16-7-3-5-15-6-4-8-17(21(15)16)19-12-10-14(2)20(13)22(18)19/h3-14,20-21H,1-2H3
InChIKeyWGDWMHJPSSAGPG-UHFFFAOYSA-N
XLogP5.23
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 ≤ 55.23
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 100

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Frequently Asked Questions

What is the IUPAC name of 3,4-dimethyl-3,3a,4,9b-tetrahydroperylene?
The IUPAC name of 3,4-dimethyl-3,3a,4,9b-tetrahydroperylene (CID 91430696) is 3,4-dimethyl-3,3a,4,9b-tetrahydroperylene.
What is the SMILES notation for 3,4-dimethyl-3,3a,4,9b-tetrahydroperylene?
The canonical SMILES for 3,4-dimethyl-3,3a,4,9b-tetrahydroperylene is CC1C=CC2=C3C=CC=C4C=CC=C(C5=C2C1C(C)C=C5)C43.
What is the InChIKey of 3,4-dimethyl-3,3a,4,9b-tetrahydroperylene?
The InChIKey is WGDWMHJPSSAGPG-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H20/c1-13-9-11-18-16-7-3-5-15-6-4-8-17(21(15)16)19-12-10-14(2)20(13)22(18)19/h3-14,20-21H,1-2H3.
What are the key properties of 3,4-dimethyl-3,3a,4,9b-tetrahydroperylene?
3,4-dimethyl-3,3a,4,9b-tetrahydroperylene has a molecular weight of 284.40 g/mol, XLogP of 5.23, 0 rotatable bonds, 0 hydrogen bond donors, and 0 hydrogen bond acceptors.
Where does this data come from?
All data for 3,4-dimethyl-3,3a,4,9b-tetrahydroperylene is sourced from PubChem (CID 91430696), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).