1,1-dimethyl-3,6-dihydro-2H-chrysene

C20H20 — CID 174508199

IUPAC1,1-dimethyl-3,6-dihydro-2H-chrysene
SMILESCC1(C)CCC=c2c1ccc1c2=CCc2ccccc2-1
InChIInChI=1S/C20H20/c1-20(2)13-5-8-18-17-10-9-14-6-3-4-7-15(14)16(17)11-12-19(18)20/h3-4,6-8,10-12H,5,9,13H2,1-2H3
InChIKeySFZFWFBRFNPTLM-UHFFFAOYSA-N
MW260.38 g/mol
LogP3.54
Rot. Bonds

About 1,1-dimethyl-3,6-dihydro-2H-chrysene

1,1-dimethyl-3,6-dihydro-2H-chrysene (PubChem CID 174508199) has the molecular formula C20H20 and a molecular weight of 260.38 g/mol. Its IUPAC name is 1,1-dimethyl-3,6-dihydro-2H-chrysene.

Molecular Properties

Compound Name1,1-dimethyl-3,6-dihydro-2H-chrysene
PubChem CID174508199
Molecular FormulaC20H20
Molecular Weight260.38 g/mol
Exact Mass260.16
IUPAC Name1,1-dimethyl-3,6-dihydro-2H-chrysene
SMILESCC1(C)CCC=c2c1ccc1c2=CCc2ccccc2-1
InChIInChI=1S/C20H20/c1-20(2)13-5-8-18-17-10-9-14-6-3-4-7-15(14)16(17)11-12-19(18)20/h3-4,6-8,10-12H,5,9,13H2,1-2H3
InChIKeySFZFWFBRFNPTLM-UHFFFAOYSA-N
XLogP3.54
TPSA0.00 Ų
H-Bond Donors
H-Bond Acceptors
Rotatable Bonds
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500260.38
LogP ≤ 53.54
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 100

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Related Compounds

1,2,3,6-tetrahydrochrysene
CID 174255950
1,6-dihydrochrysene
CID 141333626
6H-cyclopenta[a]phenanthrene-16-carbonitrile
CID 141101458
3-[2-(3H-inden-1-yl)ethyl]-5,5,8,8-tetramethyl-6,7-dihydro-1H-cyclopenta[b]naphthalene
CID 123755719
benzoyl benzoate;1,2,3,6-tetrahydrochrysene
CID 174591475
1-benzyl-1,2,3,6-tetrahydrochrysene
CID 174632975
3-(3-methylphenyl)-1,2,3,6-tetrahydrochrysene
CID 174511764
pyridine;1H-pyrrole;1,2,3,6-tetrahydrochrysene
CID 174819544
4-phenyl-1-(1,2,3,6-tetrahydrochrysen-1-yl)piperidine
CID 174397832
1H-azepine;1,2,3,6-tetrahydrochrysen-1-amine
CID 175248018
phenyl(1,2,3,6-tetrahydrochrysen-3-yl)methanone
CID 174511724
1,2,3,6-tetrahydrochrysen-1-yl benzoate
CID 174455552

Frequently Asked Questions

What is the IUPAC name of 1,1-dimethyl-3,6-dihydro-2H-chrysene?
The IUPAC name of 1,1-dimethyl-3,6-dihydro-2H-chrysene (CID 174508199) is 1,1-dimethyl-3,6-dihydro-2H-chrysene.
What is the SMILES notation for 1,1-dimethyl-3,6-dihydro-2H-chrysene?
The canonical SMILES for 1,1-dimethyl-3,6-dihydro-2H-chrysene is CC1(C)CCC=c2c1ccc1c2=CCc2ccccc2-1.
What is the InChIKey of 1,1-dimethyl-3,6-dihydro-2H-chrysene?
The InChIKey is SFZFWFBRFNPTLM-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H20/c1-20(2)13-5-8-18-17-10-9-14-6-3-4-7-15(14)16(17)11-12-19(18)20/h3-4,6-8,10-12H,5,9,13H2,1-2H3.
What are the key properties of 1,1-dimethyl-3,6-dihydro-2H-chrysene?
1,1-dimethyl-3,6-dihydro-2H-chrysene has a molecular weight of 260.38 g/mol, XLogP of 3.54, 0 rotatable bonds, 0 hydrogen bond donors, and 0 hydrogen bond acceptors.
Where does this data come from?
All data for 1,1-dimethyl-3,6-dihydro-2H-chrysene is sourced from PubChem (CID 174508199), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).