2,5,5-trimethyl-4,6-dihydro-1H-chrysene

C21H22 — CID 174890844

IUPAC2,5,5-trimethyl-4,6-dihydro-1H-chrysene
SMILESCC1=CCc2c(ccc3c2C(C)(C)Cc2ccccc2-3)C1
InChIInChI=1S/C21H22/c1-14-8-10-18-15(12-14)9-11-19-17-7-5-4-6-16(17)13-21(2,3)20(18)19/h4-9,11H,10,12-13H2,1-3H3
InChIKeyIGHJPLQCHKNWJJ-UHFFFAOYSA-N
MW274.41 g/mol
LogP5.23
Rot. Bonds

About 2,5,5-trimethyl-4,6-dihydro-1H-chrysene

2,5,5-trimethyl-4,6-dihydro-1H-chrysene (PubChem CID 174890844) has the molecular formula C21H22 and a molecular weight of 274.41 g/mol. Its IUPAC name is 2,5,5-trimethyl-4,6-dihydro-1H-chrysene.

Molecular Properties

Compound Name2,5,5-trimethyl-4,6-dihydro-1H-chrysene
PubChem CID174890844
Molecular FormulaC21H22
Molecular Weight274.41 g/mol
Exact Mass274.17
IUPAC Name2,5,5-trimethyl-4,6-dihydro-1H-chrysene
SMILESCC1=CCc2c(ccc3c2C(C)(C)Cc2ccccc2-3)C1
InChIInChI=1S/C21H22/c1-14-8-10-18-15(12-14)9-11-19-17-7-5-4-6-16(17)13-21(2,3)20(18)19/h4-9,11H,10,12-13H2,1-3H3
InChIKeyIGHJPLQCHKNWJJ-UHFFFAOYSA-N
XLogP5.23
TPSA0.00 Ų
H-Bond Donors
H-Bond Acceptors
Rotatable Bonds
Heavy Atoms21
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500274.41
LogP ≤ 55.23
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 100

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'isolated_alkene', 'substructure': 'N/A'}

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Related Compounds

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CID 101391435
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CID 10755502
1,1,2,2,3,3-hexamethyl-9H-cyclopenta[b]fluorene
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1,1-dimethyl-3,6-dihydro-2H-chrysene
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Frequently Asked Questions

What is the IUPAC name of 2,5,5-trimethyl-4,6-dihydro-1H-chrysene?
The IUPAC name of 2,5,5-trimethyl-4,6-dihydro-1H-chrysene (CID 174890844) is 2,5,5-trimethyl-4,6-dihydro-1H-chrysene.
What is the SMILES notation for 2,5,5-trimethyl-4,6-dihydro-1H-chrysene?
The canonical SMILES for 2,5,5-trimethyl-4,6-dihydro-1H-chrysene is CC1=CCc2c(ccc3c2C(C)(C)Cc2ccccc2-3)C1.
What is the InChIKey of 2,5,5-trimethyl-4,6-dihydro-1H-chrysene?
The InChIKey is IGHJPLQCHKNWJJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H22/c1-14-8-10-18-15(12-14)9-11-19-17-7-5-4-6-16(17)13-21(2,3)20(18)19/h4-9,11H,10,12-13H2,1-3H3.
What are the key properties of 2,5,5-trimethyl-4,6-dihydro-1H-chrysene?
2,5,5-trimethyl-4,6-dihydro-1H-chrysene has a molecular weight of 274.41 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 2,5,5-trimethyl-4,6-dihydro-1H-chrysene is sourced from PubChem (CID 174890844), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).