7,12-dimethylpleiadene

C20H16 — CID 132501429

IUPAC7,12-dimethylpleiadene
SMILESCC1=c2ccccc2=C(C)c2cccc3cccc1c23
InChIInChI=1S/C20H16/c1-13-16-9-3-4-10-17(16)14(2)19-12-6-8-15-7-5-11-18(13)20(15)19/h3-12H,1-2H3
InChIKeyZBEUEXWJZUWEQK-UHFFFAOYSA-N
MW256.35 g/mol
LogP3.59
Rot. Bonds

About 7,12-dimethylpleiadene

7,12-dimethylpleiadene (PubChem CID 132501429) has the molecular formula C20H16 and a molecular weight of 256.35 g/mol. Its IUPAC name is 7,12-dimethylpleiadene.

Molecular Properties

Compound Name7,12-dimethylpleiadene
PubChem CID132501429
Molecular FormulaC20H16
Molecular Weight256.35 g/mol
Exact Mass256.13
IUPAC Name7,12-dimethylpleiadene
SMILESCC1=c2ccccc2=C(C)c2cccc3cccc1c23
InChIInChI=1S/C20H16/c1-13-16-9-3-4-10-17(16)14(2)19-12-6-8-15-7-5-11-18(13)20(15)19/h3-12H,1-2H3
InChIKeyZBEUEXWJZUWEQK-UHFFFAOYSA-N
XLogP3.59
TPSA0.00 Ų
H-Bond Donors
H-Bond Acceptors
Rotatable Bonds
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500256.35
LogP ≤ 53.59
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 100

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Frequently Asked Questions

What is the IUPAC name of 7,12-dimethylpleiadene?
The IUPAC name of 7,12-dimethylpleiadene (CID 132501429) is 7,12-dimethylpleiadene.
What is the SMILES notation for 7,12-dimethylpleiadene?
The canonical SMILES for 7,12-dimethylpleiadene is CC1=c2ccccc2=C(C)c2cccc3cccc1c23.
What is the InChIKey of 7,12-dimethylpleiadene?
The InChIKey is ZBEUEXWJZUWEQK-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H16/c1-13-16-9-3-4-10-17(16)14(2)19-12-6-8-15-7-5-11-18(13)20(15)19/h3-12H,1-2H3.
What are the key properties of 7,12-dimethylpleiadene?
7,12-dimethylpleiadene has a molecular weight of 256.35 g/mol, XLogP of 3.59, 0 rotatable bonds, 0 hydrogen bond donors, and 0 hydrogen bond acceptors.
Where does this data come from?
All data for 7,12-dimethylpleiadene is sourced from PubChem (CID 132501429), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).